(Q105385830)

English

[(3S,4aR,6aR,6bS,8aS,10S,12S,12aS,14S,14aR,14bS)-10,14-dihydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

taraxastane / ursane triterpenoid

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mass

498.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₀O₄

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2C(O)C=C4C5C(C(=C)C(O)CC5(C)CCC43C)C)C1(C)C)C

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isomeric SMILES

C=C1[C@@H](O)C[C@]2(C)CC[C@]3(C)C(=C[C@H](O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C

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found in taxon

Echinops galalensis

1 reference

stated in

Protective effect of Echinops galalensis against CCl4-induced injury on the human hepatoma cell line (Huh7)

Identifiers

InChI

InChI=1S/C32H50O4/c1-18-19(2)26-21-16-22(34)27-30(7)12-11-25(36-20(3)33)28(4,5)24(30)10-13-32(27,9)31(21,8)15-14-29(26,6)17-23(18)35/h16,19,22-27,34-35H,1,10-15,17H2,2-9H3/t19-,22+,23+,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1

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InChIKey

ZXWBGYRHEFMAHL-APTUFYBWSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105385830)

[(3S,4aR,6aR,6bS,8aS,10S,12S,12aS,14S,14aR,14bS)-10,14-dihydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate

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Identifiers

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