(Q105194067)

English

(10-Acetyloxy-1,6,9-trihydroxy-5a,8,8,11a,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-3a-yl)methyl acetate

group of stereoisomers with the chemical formula C₃₄H₅₄O₇

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Statements

instance of

group of stereoisomers

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1 reference

574.386954068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₇

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canonical SMILES

O=C(OCC12CCC3(C)C4C(=CCC3(C)C2C(O)CC1C(C)C)C5(C)CC(OC(=O)C)C(O)C(C)(C)C5CC4O)C

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found in taxon

Rubia yunnanensis

1 reference

stated in

Bioactive Constituents from Chinese Natural Medicines. Part 11. Inhibitors on NO Production and Degranulation in RBL-2H3 from Rubia yunnanensis: Structures of Rubianosides II, III, and IV, Rubianol-g, and Rubianthraquinone.

Identifiers

InChI

InChI=1S/C34H54O7/c1-18(2)22-14-24(38)28-33(9)11-10-21-27(32(33,8)12-13-34(22,28)17-40-19(3)35)23(37)15-26-30(5,6)29(39)25(41-20(4)36)16-31(21,26)7/h10,18,22-29,37-39H,11-17H2,1-9H3

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InChIKey

OLOLVKCRAVUVOL-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105194067)

(10-Acetyloxy-1,6,9-trihydroxy-5a,8,8,11a,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-3a-yl)methyl acetate

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