(Q105027250)

English

[(8R,10R,12R,14R)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxo-5,6,7,9,11,12,13,15,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate

group of stereoisomers with the chemical formula C₂₉H₄₂O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

470.303224444 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₅

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canonical SMILES

O=C(OC1CC2C3(C=CC(=O)C(C)(C)C3CCC2(C)C4(C)CCC(C14)C5(OC(=O)CC5)C)C)C

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isomeric SMILES

CC(=O)O[C@@H]1CC2[C@@]3(C)C=CC(=O)C(C)(C)C3CC[C@@]2(C)[C@]2(C)CCC([C@]3(C)CCC(=O)O3)C12

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found in taxon

Cleome africana

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stated in

Cytotoxic triterpenes from Cleome africana.

Cleome amblyocarpa

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stated in

Cytotoxic triterpenes from Cleome africana.

Identifiers

InChI

InChI=1S/C29H42O5/c1-17(30)33-19-16-21-26(4)12-10-22(31)25(2,3)20(26)9-14-27(21,5)28(6)13-8-18(24(19)28)29(7)15-11-23(32)34-29/h10,12,18-21,24H,8-9,11,13-16H2,1-7H3/t18?,19-,20?,21?,24?,26+,27-,28-,29+/m1/s1

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InChIKey

HFEGMQANBPHCKL-KZEHPBANSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105027250)

[(8R,10R,12R,14R)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxo-5,6,7,9,11,12,13,15,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate

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Identifiers

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