(Q105140559)

English

[(3S,4S,5S,8S,10S,13R,14S,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-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

3a,6,9a,11a-tetramethyl-1-(6-methyl-5-methylideneheptan-2-yl)-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)C3CCC2C1C)C(C)CCC(=C)C(C)C)C)C

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isomeric SMILES

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

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found in taxon

Phaseolus vulgaris

1 reference

stated in

25-Methylgramisterol and other 4α-methylsterols from Phaseolus vulgaris seeds

Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)21(3)10-11-22(4)25-14-18-32(9)28-13-12-26-23(5)29(34-24(6)33)16-17-30(26,7)27(28)15-19-31(25,32)8/h15,20,22-23,25-26,28-29H,3,10-14,16-19H2,1-2,4-9H3/t22-,23+,25-,26+,28-,29+,30+,31-,32+/m1/s1

0 references

InChIKey

KFTORKYFJLPLES-YWMCNHAWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105140559)

[(3S,4S,5S,8S,10S,13R,14S,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-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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