(Q105281643)

English

(3S,5S,6R,9S,10S,13R,14R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6,9-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5,6-Dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6,9-triol

1 reference

based on heuristic

inferred from SMILES

mass

430.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₃

0 references

canonical SMILES

OC1C=C2C3CCC(C(C=CC(C)C(C)C)C)C3(C)CCC2(O)C4(C)CCC(O)CC14

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isomeric SMILES

CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C

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found in taxon

Dendronephthya gigantea

1 reference

stated in

Polyhydroxylated sterols from the octocoral Dendronephthya gigantea

Identifiers

InChI

InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-16-25(30)24-15-20(29)11-12-27(24,6)28(23,31)14-13-26(21,22)5/h7-8,16-22,24-25,29-31H,9-15H2,1-6H3/b8-7+/t18-,19-,20+,21-,22+,24-,25-,26-,27+,28-/m1/s1

0 references

InChIKey

UYLXACYOVFNPGF-FFPBGUOPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYLXACYOVFNPGF-FFPBGUOPSA-N

(Q105281643)

(3S,5S,6R,9S,10S,13R,14R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6,9-triol

Statements

Identifiers

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