(Q105008325)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

444.323959888 dalton

1 reference

1 reference

C₂₈H₄₄O₄

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canonical SMILES

O=C1CC2C3CCC(C(C=CC(=C)C(C)C)C)C3(C)CCC2C4(C)C(O)CC(O)CC14O

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isomeric SMILES

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

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found in taxon

Sinularia gibberosa

1 reference

stated in

Polyoxygenated sterols from the Formosan soft coral Sinularia gibberosa

Identifiers

InChI

InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h7-8,16,18-24,29-30,32H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19-,20-,21+,22-,23-,24-,26+,27-,28+/m0/s1

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InChIKey

GGUKDEVDQIQJKX-HCKCPIRUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GGUKDEVDQIQJKX-HCKCPIRUSA-N

(Q105008325)

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

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