(Q105216127)

English

Methyl 10-acetyloxy-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

group of stereoisomers with the chemical formula C₃₃H₅₂O₆

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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

544.3763893839998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₂O₆

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canonical SMILES

O=C(OC1C(O)CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)OC)CCC4(C)C3(C)CCC2C1(C)C)C

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Identifiers

InChI

InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3

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InChIKey

PXDXCTTVAVOJTB-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PXDXCTTVAVOJTB-UHFFFAOYSA-N

1 reference

(Q105216127)

Methyl 10-acetyloxy-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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Identifiers

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