(Q105304505)

English

[(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-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

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subclass of

1-(5-ethyl-6-methylhept-6-en-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

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

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

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isomeric SMILES

C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C

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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/C32H52O2/c1-9-24(21(2)3)11-10-22(4)27-15-18-32(8)29-13-12-25-20-26(34-23(5)33)14-17-30(25,6)28(29)16-19-31(27,32)7/h16,22,24-27,29H,2,9-15,17-20H2,1,3-8H3/t22-,24+,25+,26+,27-,29-,30+,31-,32+/m1/s1

0 references

InChIKey

WGHNHHQZISJVJT-LJWANXNMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105304505)

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

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Identifiers

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