(Q105211806)

English

[(3S,4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4,10,13-trimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-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

0 references

canonical SMILES

O=C(OC1CCC2(C3=C(CCC2C1C)C4CCC(C(C)CCC(=CC)C(C)C)C4(C)CC3)C)C

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isomeric SMILES

C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1CC3)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/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h9,20-22,26-28,30H,10-19H2,1-8H3/b24-9-/t21-,22+,26-,27+,28+,30+,31-,32+/m1/s1

0 references

InChIKey

PMXQGXSNFUWYMT-XFAUPDQCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PMXQGXSNFUWYMT-XFAUPDQCSA-N

(Q105211806)

[(3S,4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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