(Q105346799)

English

4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-5-one

group of stereoisomers with the chemical formula C₄₂H₆₈O₁₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

780.465992236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₈O₁₃

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canonical SMILES

O=C1CC2(C(=CCC3C4(C)CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(C)(C)C4CCC32C)C7CC(C)(C)CCC17CO)C

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found in taxon

Maesa lanceolata

1 reference

stated in

Triterpene saponins of Maesa lanceolata leaves

Identifiers

InChI

InChI=1S/C42H68O13/c1-37(2)14-15-42(20-44)22(16-37)21-8-9-26-39(5)12-11-28(38(3,4)25(39)10-13-40(26,6)41(21,7)17-27(42)45)55-36-34(51)32(49)30(47)24(54-36)19-52-35-33(50)31(48)29(46)23(18-43)53-35/h8,22-26,28-36,43-44,46-51H,9-20H2,1-7H3

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InChIKey

YDKYBKVODMIZDP-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YDKYBKVODMIZDP-UHFFFAOYSA-N

(Q105346799)

4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-5-one

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Identifiers

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