(Q104920033)

English

3,12-Dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid

group of stereoisomers with the chemical formula C₃₆H₅₆O₁₁

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

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inferred from

taraxastane / ursane triterpenoid

mass

664.382262612 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₆O₁₁

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canonical SMILES

O=C(O)C1(C)C(O)CCC2(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/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)

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InChIKey

AWFZJSUJFSUBQU-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AWFZJSUJFSUBQU-UHFFFAOYSA-N

1 reference

(Q104920033)

3,12-Dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid

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