(Q105311596)

English

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxy-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 C₄₁H₆₆O₁₃

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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

766.9565 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₆O₁₃

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(O)(C)C3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2

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Identifiers

InChI

InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)27(44)22(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)28(45)23(19-43)51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3

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InChIKey

WRUJXRNNKKRLRE-UHFFFAOYSA-N

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PubChem CID

162933692

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WRUJXRNNKKRLRE-UHFFFAOYSA-N

(Q105311596)

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxy-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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