stigmastanol acetate (Q27253972)

Stigmastanol acetate (English)

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

14 October 2016

stereoisomer of

2 references

inferred from InChIKey

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

inferred from InChI

1 reference

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

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₃₁H₅₄O₂

1 reference

Stigmastanol acetate (English)

14 October 2016

canonical SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C

1 reference

Stigmastanol acetate (English)

14 October 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[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C

1 reference

Sterols and sterol glucosides from two Aegiphila species

Stigmastanol acetate (English)

14 October 2016

1 reference

Cajanus cajan

1 reference

Sterols of Cajanus cajan and three other leguminosae seeds

Dioscorea polystachya

1 reference

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

Pyrosoma atlanticum

1 reference

Sterol composition of Pyrosoma giganteum

Baccharoides anthelmintica

1 reference

4α-methylvernosterol and other sterols from Vernonia anthelmintica seeds

maize

1 reference

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

Identifiers

InChI

InChI=1S/C31H54O2/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/h20-21,23-29H,8-19H2,1-7H3/t21-,23-,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1

1 reference

Stigmastanol acetate (English)

14 October 2016

1 reference

Global Substance Registration System

Stigmastanol acetate (English)

14 October 2016

1 reference

UNII

25KQ8D914G

stigmastanol acetate (English)

14 October 2016

1 reference

Stigmastanol acetate (English)

14 October 2016

2 references

Stigmastanol acetate (English)

matched by identifier from

14 October 2016

MSBNK-Fac_Eng_Univ_Tokyo-JP011090

1 reference

MassBank accession ID

0 references

SPLASH

splash10-0aou-9530000000-b5c33d893655b5e09c7b

0 references

DSSTox substance ID

DTXSID50178309

2 references

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

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

25KQ8D914G

stigmastanol acetate (English)

matched by identifier from

14 October 2016