(Q103817804)

English

[(3R,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

group of stereoisomers with the chemical formula C₂₉H₄₆O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

458.339609952 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₄

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C5(OC(=O)CC5)C)C1(C)C)C

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found in taxon

Aglaia abbreviata

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stated in

Triterpenoids from Aglaia abbreviata and their cytotoxic activities.

Aglaia elaeagnoidea

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stated in

Triterpenoids from Aglaia abbreviata and their cytotoxic activities.

Identifiers

InChI

InChI=1S/C29H46O4/c1-18(30)32-23-12-14-26(4)21(25(23,2)3)11-16-28(6)22(26)9-8-19-20(10-15-27(19,28)5)29(7)17-13-24(31)33-29/h19-23H,8-17H2,1-7H3

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InChIKey

CKGAIIJMVWESST-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CKGAIIJMVWESST-UHFFFAOYSA-N

1 reference

(Q103817804)

[(3R,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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