(Q105149819)

English

LCGQSISMCSVPJV-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₂H₉₄O₂₉

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Statements

group of stereoisomers

0 references

oleanane triterpenoid

1 reference

oleanane triterpenoid

1,302.588076988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₂H₉₄O₂₉

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canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OC(O)C(O)CC3OC4OC(CO)C(O)C(O)C4O)C2OC5OC(CO)C(O)C(O)C5O)CCC6(C)C7CC=C8C9CC(C)(C)C(OC(=O)C(=CC)C)C(OC(=O)C)C9(CO)C(OC(=O)C)CC8(C)C7(C)CCC16

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Identifiers

InChI=1S/C62H94O29/c1-11-25(2)51(79)90-48-49(82-27(4)68)62(24-66)29(19-57(48,5)6)28-12-13-35-58(7)16-15-36(59(8,23-65)34(58)14-17-60(35,9)61(28,10)20-37(62)81-26(3)67)86-56-47(89-55-43(75)41(73)39(71)33(22-64)85-55)45(44(76)46(88-56)50(77)78)87-53-31(18-30(69)52(80)91-53)83-54-42(74)40(72)38(70)32(21-63)84-54/h11-12,23,29-49,52-56,63-64,66,69-76,80H,13-22,24H2,1-10H3,(H,77,78)

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LCGQSISMCSVPJV-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

LCGQSISMCSVPJV-UHFFFAOYSA-N

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