(Q105353062)

English

YRTDPWGTGFRWCS-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₇₀H₁₁₆O₃₆

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Statements

group of stereoisomers

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oleanane triterpenoid

1 reference

oleanane triterpenoid

1,532.724630032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇₀H₁₁₆O₃₆

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canonical SMILES

OCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(OC6OC(CO)C(O)C(O)C6O)C4O)C3OC7OCC(O)C(O)C7O)COC2OC8CCC9(C)C(CCC%10(C)C9CCC%11%12OCC%13(CCC(C)(C)CC%11%13)C(O)CC%12%10C)C8(C)C)C(O)C(O)C1O

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Identifiers

InChI=1S/C70H116O36/c1-64(2)14-15-69-25-94-70(35(69)16-64)13-9-34-66(5)11-10-37(65(3,4)33(66)8-12-67(34,6)68(70,7)17-36(69)77)101-62-55(105-60-50(90)46(86)41(81)29(20-73)97-60)43(83)32(24-93-62)100-63-56(106-57-47(87)38(78)26(76)23-92-57)53(42(82)30(21-74)98-63)103-61-51(91)54(104-59-49(89)45(85)40(80)28(19-72)96-59)52(31(22-75)99-61)102-58-48(88)44(84)39(79)27(18-71)95-58/h26-63,71-91H,8-25H2,1-7H3

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YRTDPWGTGFRWCS-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

YRTDPWGTGFRWCS-UHFFFAOYSA-N

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