coprostanol (Q5168983)

image of molecular model or crystal lattice model

inferred from SMILES

chemical structure

Coprostanol.png
833 × 429; 9 KB

0 references

Coprostanol 3D ball.png
2,000 × 1,102; 396 KB

depicts

ball-and-stick model

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mass

388.370516156 dalton

1 reference

inferred from isomeric SMILES

stereoisomer of

Epicholestanol

2 references

2 references

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

2 references

Cholestan-3-ol, (3beta,5alpha)-

2 references

2 references

Cholestan-3-ol, (3.beta.)-

epidihydrocholesterin

1 reference

1 reference

1 reference

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

1 reference

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

1 reference

5a-Cholestan-3beta-ol

1 reference

imported from Wikimedia project

chemical formula

C₂₇H₄₈O

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canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC32)C1

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isomeric SMILES

O[C@H]4CC[C@]3([C@H](CC[C@H]2[C@@H]1CC[C@@H]([C@@]1(C)CC[C@@H]23)[C@H](C)CCCC(C)C)C4)C

1 reference

1 reference

Minor sterols of marine invertebrates 37. Isolation of novel coprostanols and 4 alpha-methyl sterols from the tunicate Ascidia nigra

Petrosia ficiformis

1 reference

Minor and trace sterols from marine invertebrates 56. Novel coprostanols from the marine sponge Petrosia ficiformis

Homo sapiens

1 reference

Global gas chromatography/time-of-flight mass spectrometry (GC/TOFMS)-based metabonomic profiling of lyophilized human feces

Commons category

Coprostanol

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Identifiers

InChI

InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

0 references

InChIKey

QYIXCDOBOSTCEI-NWKZBHTNSA-N

1 reference

imported from Wikimedia project

ChEBI release 2020-09-01

CAS Registry Number

360-68-9

2 references

English Wikipedia

InChIKey

QYIXCDOBOSTCEI-NWKZBHTNSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=360-68-9

ChemSpider ID

19951861

1 reference

imported from Wikimedia project

0 references

mapping relation type

exact match

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP003428

ChEBI release 2019-10-02

1 reference

MassBank accession ID

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SPLASH

splash10-052u-9527000000-d23f4273340e8c85dc8a

0 references

DSSTox substance ID

DTXSID1052036

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

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206-638-8

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.036

retrieved

27 December 2018

title

5-β-cholestan-3-β-ol (English)

quotation

CAS no.: 360-68-9 (English)

ECHA Substance Infocard ID

100.006.036

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.036

retrieved

27 December 2018

title

5-β-cholestan-3-β-ol (English)

quotation

CAS no.: 360-68-9 (English)

Human Metabolome Database ID

HMDB0000577

1 reference

KNApSAcK ID

C00061602

1 reference