(Q104987634)

English

[(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-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

[10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-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

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canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C)CCC(=CC)C(C)C)C4(C)CC3)C

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isomeric SMILES

C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Cajanus cajan

1 reference

stated in

Sterols of Cajanus cajan and three other leguminosae seeds

maize

1 reference

stated in

Investigations on the Δ23-, Δ24(28)- and Δ25-Sterols of zea mays

Baccharoides anthelmintica

1 reference

stated in

4α-methylvernosterol and other sterols from Vernonia anthelmintica seeds

Identifiers

InChI

InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h8,12,20-21,24-25,27-29H,9-11,13-19H2,1-7H3/b23-8-/t21-,24+,25+,27-,28+,29+,30+,31-/m1/s1

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InChIKey

DRTNDMHSMAQQDR-XGZLAOQOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DRTNDMHSMAQQDR-XGZLAOQOSA-N

1 reference

(Q104987634)

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

Statements

Identifiers

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