(Q105198581)

English

[(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-4-en-2-yl]-4,10,13-trimethyl-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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Statements

instance of

type of chemical entity

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subclass of

[17-(5,6-dimethylhept-4-en-2-yl)-4,10,13-trimethyl-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 SMILES

mass

454.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1C)C4CCC(C(C)CC=C(C)C(C)C)C4(C)CC3)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C/C=C(\C)C(C)C)[C@@H]1C

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found in taxon

maize

1 reference

stated in

24-Methyl-E-23-dehydrolophenol, a new sterol and two other 24-methyl-E-Δ23-sterols in Zea mays germ oil

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/h9,11,19,21-22,25-29H,10,12-18H2,1-8H3/b20-9+/t21-,22+,25-,26+,27+,28+,29+,30-,31+/m1/s1

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InChIKey

ORXXECLZMPJQFD-GXOUDRBRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ORXXECLZMPJQFD-GXOUDRBRSA-N

(Q105198581)

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

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Identifiers

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