(Q105203813)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

24-Ethyl-cholest-7-ene-3,5,6-triol

1 reference

based on heuristic

inferred from SMILES

1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-5,5a,7-triol

1 reference

based on heuristic

inferred from SMILES

mass

446.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O₃

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canonical SMILES

OC1C=C2C3CCC(C(C)CCC(CC)C(C)C)C3(C)CCC2C4(C)CCC(O)CC14O

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isomeric SMILES

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

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found in taxon

Haloxylon recurvum

1 reference

stated in

Isolation and cholinesterase-inhibition studies of sterols from Haloxylon recurvum.

Identifiers

InChI

InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h16,18-21,23-26,30-32H,7-15,17H2,1-6H3/t19-,20-,21+,23-,24+,25+,26+,27-,28-,29+/m1/s1

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InChIKey

OZIAZQBXQMKSLA-AYMDEYKRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZIAZQBXQMKSLA-AYMDEYKRSA-N

(Q105203813)

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

Statements

Identifiers

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