(Q104986896)

English

5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₁H₆₆O₁₃

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

766.4503421720003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₆O₁₃

0 references

canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CC(O)C6(C)CCC54C)C2(C)CO)C(OC7OC(CO)C(O)C7O)C(O)C1O

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Identifiers

InChI

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

0 references

InChIKey

DQEFKNQXUJVIAB-UHFFFAOYSA-N

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PubChem CID

163027410

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DQEFKNQXUJVIAB-UHFFFAOYSA-N

(Q104986896)

5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid

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