(Q104912637)

English

AICKXAXCPBHDBZ-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₇H₈₀O₁₉

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Statements

group of stereoisomers

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protostane/dammarane triterpenoid

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protostane/dammarane triterpenoid

948.52938034 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₇H₈₀O₁₉

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canonical SMILES

OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC43C)C5(OC(CC5)C(O)(C)C)C)C6(C)CCC(O)C(C)(C)C26)C(OC7OC(CO)C(O)C(O)C7OC8OCC(O)C(O)C8O)C(O)C1O

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1 reference

Dammarane-type triterpene saponins from Panax japonicus

Identifiers

InChI=1S/C47H80O19/c1-42(2)27(52)10-12-44(5)26-15-21(50)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)61-40-36(33(56)31(54)24(17-48)62-40)65-41-37(34(57)32(55)25(18-49)63-41)64-39-35(58)30(53)22(51)19-60-39/h20-41,48-59H,9-19H2,1-8H3

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AICKXAXCPBHDBZ-UHFFFAOYSA-N

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1 reference

15 September 2022

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