(Q105223496)

English

(3S,4S,5R,10S,13R,14S,17S)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-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

4,10,13-trimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

412.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4alpha-Methylfecosterol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O

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canonical SMILES

OC1CCC2(C3=C(CCC2C1C)C4CCC(C(C)CCC(=C)C(C)C)C4(C)CC3)C

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isomeric SMILES

C=C(CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3)C(C)C

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found in taxon

Phycomyces blakesleeanus

1 reference

stated in

Sterol esters of Phycomyces blakesleeanus

Identifiers

InChI

InChI=1S/C29H48O/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/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23+,24-,25-,27+,28-,29+/m1/s1

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InChIKey

QLDNWJOJCDIMKK-PJPQCHGWSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105223496)

(3S,4S,5R,10S,13R,14S,17S)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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Identifiers

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