(Q105138382)

English

(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-acetyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-acetyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

426.349780712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₂

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canonical SMILES

O=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12

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isomeric SMILES

CC(=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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found in taxon

Dorstenia convexa

1 reference

stated in

Long-chain alkanoic acid esters of lupeol from Dorstenia harmsiana Engl. (Moraceae)

Salacia chinensis

1 reference

stated in

The absolute stereostructures of three rare D:B-friedobaccharane skeleton triterpenes from the leaves of Salacia chinensis

Identifiers

InChI

InChI=1S/C29H46O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-22,24H,8-17H2,1-7H3/t19-,20+,21-,22+,24+,26+,27-,28+,29+/m0/s1

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InChIKey

KBNLDLGROQKYEQ-XFPNZXGSSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105138382)

(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-acetyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

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Identifiers

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