(Q110197466)

English

[7-hydroxy-17-[5-(1-hydroxy-2-methylprop-2-enyl)-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbut-2-enoate

group of stereoisomers with the chemical formula C₃₆H₅₆O₆

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Statements

instance of

group of stereoisomers

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subclass of

apotirucallane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

584.407689512 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₆O₆

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C(=CCC4C5CC(OC5OC)C(O)C(=C)C)C3(C)C(O)CC2C1(C)C)C)C=C(C)C

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found in taxon

Toona ciliata

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stated in

Triterpenoids from the leaves of Toona ciliata

Identifiers

InChI

InChI=1S/C36H56O6/c1-20(2)17-30(38)42-29-14-16-35(8)26-13-15-34(7)23(22-18-24(31(39)21(3)4)41-32(22)40-10)11-12-25(34)36(26,9)28(37)19-27(35)33(29,5)6/h12,17,22-24,26-29,31-32,37,39H,3,11,13-16,18-19H2,1-2,4-10H3

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InChIKey

BCMPPEUPBYEXSL-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110197466)

[7-hydroxy-17-[5-(1-hydroxy-2-methylprop-2-enyl)-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbut-2-enoate

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