(Q105275552)

English

(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5R,6R)-5,6-dimethyloct-7-en-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-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5,6-dimethyloct-7-en-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-ol

1 reference

based on heuristic

inferred from SMILES

mass

414.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O

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canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(C)C(C=C)C)C4(C)CCC32)C1

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isomeric SMILES

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

0 references

found in taxon

Petrosia ficiformis

1 reference

stated in

Minor and trace sterols from marine invertebrates 56. Novel coprostanols from the marine sponge Petrosia ficiformis

Identifiers

InChI

InChI=1S/C29H50O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,19-27,30H,1,8-18H2,2-6H3/t19-,20-,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1

0 references

InChIKey

UMHJCXIQRFCNLE-YNJOKVHXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UMHJCXIQRFCNLE-YNJOKVHXSA-N

(Q105275552)

(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5R,6R)-5,6-dimethyloct-7-en-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-ol

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Identifiers

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