(Q105151401)

English

(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-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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instance of

type of chemical entity

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subclass of

(5aS)-1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol

1 reference

based on heuristic

inferred from SMILES

(3S,5S,9S,10S,13R,17R)-17-[(2R)-5-ethyl-6-methylheptan-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

416.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-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 InChIKey

(3S,5S,8R,9R,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(24S)-5beta-stigmastan-3beta-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-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 InChIKey

stigmastanol

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based on heuristic

inferred from InChIKey

1 reference

(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-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 InChI

Stigmastan-3-ol, (3beta)-

1 reference

1 reference

C₂₉H₅₂O

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canonical SMILES

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

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isomeric SMILES

CC[C@H](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)C(C)C

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found in taxon

Amphilectus fucorum

1 reference

stated in

Novel sterols from the sponge esperiopsis edwardii

Identifiers

InChI

InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(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/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23-,24+,25-,26+,27+,28+,29-/m1/s1

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InChIKey

LGJMUZUPVCAVPU-SQPFWOCISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105151401)

(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-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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