(Q104922331)

English

11-(Acetyloxy)urs-12-en-3-yl acetate

group of stereoisomers with the chemical formula C₃₄H₅₄O₄

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

526.4022102079999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₄O₄

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canonical SMILES

O=C(OC1C=C2C3C(C)C(C)CCC3(C)CCC2(C)C4(C)CCC5C(C)(C)C(OC(=O)C)CCC5(C)C14)C

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Identifiers

InChI

InChI=1S/C34H54O4/c1-20-11-14-31(7)17-18-33(9)24(28(31)21(20)2)19-25(37-22(3)35)29-32(8)15-13-27(38-23(4)36)30(5,6)26(32)12-16-34(29,33)10/h19-21,25-29H,11-18H2,1-10H3

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InChIKey

BANQNHXOKALUMC-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BANQNHXOKALUMC-UHFFFAOYSA-N

1 reference

(Q104922331)

11-(Acetyloxy)urs-12-en-3-yl acetate

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