(Q105369074)

English

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-formyl-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

group of stereoisomers with the chemical formula C₃₆H₅₆O₁₁

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

664.382262612 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₆O₁₁

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canonical SMILES

O=CC1(C)C(O)C(O)CC2(C)C1CCC3(C)C2CC=C4C5C(O)(C)C(C)CCC5(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC43C

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Identifiers

InChI

InChI=1S/C36H56O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,17-18,20-29,37,39-43,45H,8-16H2,1-6H3

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InChIKey

YZANFWDKMDESHV-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YZANFWDKMDESHV-UHFFFAOYSA-N

1 reference

(Q105369074)

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-formyl-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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