(Q104972630)

English

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

group of stereoisomers with the chemical formula C₃₆H₅₆O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

696.372091852 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₆O₁₃

0 references

canonical SMILES

O=C(O)C1(CO)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/C36H56O13/c1-31(2)10-12-35(30(47)49-28-25(42)24(41)23(40)19(15-37)48-28)13-11-33(4)17(22(35)27(31)44)6-7-20-32(3)14-18(39)26(43)36(16-38,29(45)46)21(32)8-9-34(20,33)5/h6,18-28,37-44H,7-16H2,1-5H3,(H,45,46)

0 references

InChIKey

CZBHRUAJNIBZGZ-UHFFFAOYSA-N

0 references

PubChem CID

75631834

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CZBHRUAJNIBZGZ-UHFFFAOYSA-N

(Q104972630)

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

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