(Q105255953)

English

(1S,3R,5S,8S,9S,10R,13R,14S,17R)-1,3-dihydroxy-10,13-dimethyl-17-[(E,2S)-6-methyl-5-methylidenehept-3-en-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

1,3-Dihydroxy-10,13-dimethyl-17-(6-methyl-5-methylidenehept-3-en-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

1 reference

based on heuristic

inferred from SMILES

mass

428.329045268 dalton

1 reference

1 reference

C₂₈H₄₄O₃

0 references

canonical SMILES

O=C1CC2C3CCC(C(C=CC(=C)C(C)C)C)C3(C)CCC2C4(C)C(O)CC(O)CC14

0 references

isomeric SMILES

C=C(/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

0 references

found in taxon

Sinularia gibberosa

1 reference

stated in

Polyoxygenated sterols from the Formosan soft coral Sinularia gibberosa

Identifiers

InChI

InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-15-25(30)24-13-19(29)14-26(31)28(24,6)23(20)11-12-27(21,22)5/h7-8,16,18-24,26,29,31H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19+,20-,21+,22-,23-,24+,26-,27+,28+/m0/s1

0 references

InChIKey

SMIJQQDUOZGITI-UYTRVVOCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SMIJQQDUOZGITI-UYTRVVOCSA-N

(Q105255953)

(1S,3R,5S,8S,9S,10R,13R,14S,17R)-1,3-dihydroxy-10,13-dimethyl-17-[(E,2S)-6-methyl-5-methylidenehept-3-en-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)