(Q105112899)

English

(3S,7S,8R,9R,10S,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7,9-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

cholestane steroid

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mass

434.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₆O₄

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canonical SMILES

OCC12C(=CC(O)C3C4CCC(C(C)CCCC(C)C)C4(C)CCC31O)CC(O)CC2

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isomeric SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@@]3(O)CC[C@@]21C

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found in taxon

Antipathella subpinnata

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stated in

Four new bioactive polyhydroxylated sterols from the black coral Antipathes subpinnata

Antipathes subpinnata

1 reference

stated in

Four new bioactive polyhydroxylated sterols from the black coral Antipathes subpinnata

Identifiers

InChI

InChI=1S/C27H46O4/c1-17(2)6-5-7-18(3)21-8-9-22-24-23(30)15-19-14-20(29)10-11-26(19,16-28)27(24,31)13-12-25(21,22)4/h15,17-18,20-24,28-31H,5-14,16H2,1-4H3/t18-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1

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InChIKey

IHAYVMNCCIGXGO-VHTRLTIZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHAYVMNCCIGXGO-VHTRLTIZSA-N

1 reference

(Q105112899)

(3S,7S,8R,9R,10S,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7,9-triol

Statements

Identifiers

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