(Q105008982)

English

[(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

1-(5-ethyl-6-methylhept-6-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

454.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,5S,9S,10R,13S,14R,17S)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₀O₂

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Cajanus cajan

1 reference

stated in

Sterols of Cajanus cajan and three other leguminosae seeds

Identifiers

InChI

InChI=1S/C31H50O2/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/h12,21,23-25,27-29H,2,8-11,13-19H2,1,3-7H3/t21-,23+,24+,25+,27-,28+,29+,30+,31-/m1/s1

0 references

InChIKey

GIHLUTANCCGVLN-MPYPKESJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GIHLUTANCCGVLN-MPYPKESJSA-N

(Q105008982)

[(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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