(Q105241885)

English

[(3S,4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-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

6,9a,11a-trimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,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

chemical formula

C₃₁H₅₀O₂

0 references

canonical SMILES

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

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isomeric SMILES

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/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h19,21-22,25-27,29H,3,9-18H2,1-2,4-8H3/t21-,22+,25-,26+,27+,29+,30-,31+/m1/s1

0 references

InChIKey

RNXCGPIFSGPWOB-GTNWKTSESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RNXCGPIFSGPWOB-GTNWKTSESA-N

(Q105241885)

[(3S,4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-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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Identifiers

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