(Q104918659)

English

(3S,4S,5R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-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-dimethylheptan-2-yl)-4,10,13-trimethyl-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

416.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4alpha-Methylergostanol

1 reference

based on heuristic

inferred from InChI

(24R)-4alpha,24-Dimethyl-5alpha-cholestane-3beta-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₅₂O

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canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC32)C1C

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isomeric SMILES

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

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found in taxon

Sinularia molesta

1 reference

stated in

New Sesquiterpenoids from the Soft CoralSinulariaintactaof the Indian Ocean

Identifiers

InChI

InChI=1S/C29H52O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18-27,30H,8-17H2,1-7H3/t19-,20-,21+,22+,23-,24-,25+,26+,27+,28-,29+/m1/s1

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InChIKey

ATSOHKZZFSOWDR-UZJWTXADSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ATSOHKZZFSOWDR-UZJWTXADSA-N

(Q104918659)

(3S,4S,5R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-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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