β-sitosteryl acetate (Q27137775)

Sitosteryl acetate (English)

[(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

1 reference

[(3S,8S,9R,10R,13S,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₂O₂

1 reference

Sitosteryl acetate (English)

19 November 2016

canonical SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C

1 reference

Sitosteryl acetate (English)

19 November 2016

isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C

1 reference

Sitosteryl acetate (English)

19 November 2016

found in taxon

Ekebergia pterophylla

2 references

Coumarins from Ekebergia pterophylla

Coumarins from Ekebergia pterophylla

Ophiocordyceps sinensis

1 reference

Anti-inflammatory principles from Cordyceps sinensis

Cynomorium songaricum

1 reference

GC-MS analysis of liposoluble constituents from the stems of Cynomorium songaricum

Allium victorialis

1 reference

Alliumonoate: a new cyclopentane derivative from Allium victorialis

Betula dahurica

1 reference

Triterpenoids of the bark and twigs ofBetula dahurica

Cajanus cajan

1 reference

Sterols of Cajanus cajan and three other leguminosae seeds

Toona ciliata

1 reference

Chemical investigation of Cedrela toona

Dioscorea polystachya

1 reference

5α-cholest-8(14)-en-3β-ol and three 24-alkyl-Δ8(14) -sterols from the bulbils of Dioscorea batatas

Kalanchoe daigremontiana

1 reference

Stereochemical differences in the anatomical distribution of C-24 alkylated sterols in Kalanchoe daigremontiana

Litsea sericea

1 reference

Sericeol, a cycloartane triterpene from Neolitsea sericea

Lordhowea insularis

1 reference

Germacrene derivatives and other sesquiterpenes from Senecio species and Lordhowea insularis

Neolitsea sericea

1 reference

Sericeol, a cycloartane triterpene from Neolitsea sericea

Pyrosoma atlanticum

1 reference

Sterol composition of Pyrosoma giganteum

Suberites carnosus

1 reference

ChemInform Abstract: SYNTHESIS OF TWO STANOLS IDENTIFIED IN THE SPONGE SUBERITES CARNOSUS

Baccharoides anthelmintica

1 reference

4α-methylvernosterol and other sterols from Vernonia anthelmintica seeds

Wrightia tinctoria

1 reference

14α-Methylzymosterol and other sterols from Wrightia tinctoria seeds

maize

2 references

24-Methyl-E-23-dehydrolophenol, a new sterol and two other 24-methyl-E-Δ23-sterols in Zea mays germ oil

Investigations on the Δ23-, Δ24(28)- and Δ25-Sterols of zea mays

Maclura pomifera

1 reference

Osage orange (Maclura pomifera): History and economic uses

Zingiber officinale

1 reference

Metabolic Profiles of Ginger, A Functional Food, and Its Representative Pungent Compounds in Rats by Ultraperformance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Tandem Mass Spectrometry.

Identifiers

InChI

InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1

1 reference

Sitosteryl acetate (English)

PBWOIPCULUXTNY-LBKBYZTLSA-N

19 November 2016

InChIKey

2 references

Sitosteryl acetate (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

915-05-9

2 references

Global Substance Registration System

UNII

TWI48DH01E

β-sitosteryl acetate (English)

PBWOIPCULUXTNY-LBKBYZTLSA-N

19 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=915-05-9

1 reference

SITOSTEROL ACETATE (English)

19 November 2016

1 reference

Sitosteryl acetate (English)

19 November 2016

Reaxys registry number

1916957

1 reference

beta-sitosterol 3-O-acetate (English)

7 October 2016

ChEBI ID

69433

mapping relation type

1 reference

SITOSTERYL ACETATE (English)

19 November 2016

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP005751

SITOSTERYL ACETATE (English)

19 November 2016

1 reference

MassBank accession ID

0 references

SPLASH

splash10-052e-0026900000-0afa20354d9671be086e

0 references

splash10-052b-0027900000-dd346c5856ed460ac4a6

0 references

splash10-000i-0001900000-acb7f2b88eac4a410716

0 references

splash10-000i-0001900000-83574555affcdaa71766

0 references

DSSTox substance ID

DTXSID70894094

0 references

DSSTOX compound identifier

0 references

0 references

213-019-6

1 reference

Global Substance Registration System

UNII

TWI48DH01E

β-sitosteryl acetate (English)

ECHA Substance Infocard ID

19 November 2016

100.011.836

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.011.836

27 December 2018

Human Metabolome Database ID

Stigmast-5-en-3-β-yl acetate (English)

quotation

CAS no.: 915-05-9 (English)

1 reference

28 December 2019

BETA-SITOSTERYL ACETATE (English)

quotation

CAS no.: 915-05-9 (English)

0 references

1 reference

Global Substance Registration System

UNII

TWI48DH01E

β-sitosteryl acetate (English)