(Q105188968)

English

[(3S,5S,9R,10S,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9bH,10H,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

chemical formula

C₃₁H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C3C(=C4CCC(C(C)CCC(CC)C(C)C)C4(C)CC3)CCC2C1)C

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Cajanus cajan

1 reference

stated in

Sterols of Cajanus cajan and three other leguminosae seeds

Dioscorea polystachya

1 reference

stated in

5α-cholest-8(14)-en-3β-ol and three 24-alkyl-Δ8(14) -sterols from the bulbils of Dioscorea batatas

Identifiers

InChI

InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-25,27,29H,8-19H2,1-7H3/t21-,23-,24+,25+,27-,29+,30+,31-/m1/s1

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InChIKey

OBDWLCLHGLNWSF-DEMODBABSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OBDWLCLHGLNWSF-DEMODBABSA-N

(Q105188968)

[(3S,5S,9R,10S,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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