(Q104984945)

English

6-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol

group of stereoisomers with the chemical formula C₄₁H₆₈O₁₄

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

784.4609068560003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₈O₁₄

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canonical SMILES

OCC1OC(OC2CCC34CC54CCC6(C)C(C(O)CC6(C)C5CC(O)C3C2(C)C)C7(OC(CC7)C(O)(C)C)C)C(OC8OCC(O)(CO)C8O)C(O)C1O

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Identifiers

InChI

InChI=1S/C41H68O14/c1-34(2)24(53-32-28(27(47)26(46)22(16-42)52-32)54-33-31(48)41(50,18-43)19-51-33)9-11-40-17-39(40)13-12-36(5)30(38(7)10-8-25(55-38)35(3,4)49)21(45)15-37(36,6)23(39)14-20(44)29(34)40/h20-33,42-50H,8-19H2,1-7H3

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InChIKey

DMAOFWOOOIHKPU-UHFFFAOYSA-N

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PubChem CID

3313579

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DMAOFWOOOIHKPU-UHFFFAOYSA-N

1 reference

(Q104984945)

6-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol

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