(Q105202323)

English

[(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(5,6-dimethylheptan-2-yl)-3a,9a,11a-trimethyl-1H,2H,3H,3bH,4H,5H,5aH,6H,7H,8H,9H,11H-cyclopenta[a]phenanthren-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

456.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(3R,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC2(C3=CCC4(C)C(CCC4(C)C3CCC2C1)C(C)CCC(C)C(C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1

0 references

found in taxon

Chlorella vulgaris

1 reference

stated in

24β-methyl-5α-cholest-9(11)-en-3β-ol, two 24β-alkyl-Δ5,7,9(11)-sterols and other 24β-alkylsterol from Chlorella vulgaris

Gynostemma pentaphyllum

1 reference

stated in

(24R)- and (24S)-14α-methyl-5α-ergost-9(11)-en-3β-ols from Gynostemma pentaphyllum

Identifiers

InChI

InChI=1S/C31H52O2/c1-20(2)21(3)9-10-22(4)26-14-17-31(8)28-12-11-24-19-25(33-23(5)32)13-16-29(24,6)27(28)15-18-30(26,31)7/h15,20-22,24-26,28H,9-14,16-19H2,1-8H3/t21-,22+,24-,25-,26+,28+,29-,30+,31-/m0/s1

0 references

InChIKey

OWVPCCBUUZGWRY-RQDDPAMMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWVPCCBUUZGWRY-RQDDPAMMSA-N

(Q105202323)

[(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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