(Q105142461)

English

KKZXMLYSEGPOCJ-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₉H₉₆O₂₇

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Statements

group of stereoisomers

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taraxastane / ursane triterpenoid

1 reference

taraxastane / ursane triterpenoid

1,236.613897812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₉H₉₆O₂₇

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canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C34CCC(C)C(O)(C)C4C5=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC9OC(C)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(C)C7CCC6(C)C5(C)CC3

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Scabiosa tschiliensis

1 reference

Triterpene saponins from Scabiosa rotata

Scabiosa comosa

1 reference

Triterpene saponins from Scabiosa rotata

Lomelosia rotata

1 reference

New biologically active triterpenoid saponins from Scabiosa tschiliensis

Identifiers

InChI=1S/C59H96O27/c1-23-11-16-59(53(75)86-50-43(73)40(70)37(67)29(82-50)22-78-48-41(71)38(68)35(65)27(19-60)80-48)18-17-56(6)25(47(59)58(23,8)76)9-10-31-55(5)14-13-32(54(3,4)30(55)12-15-57(31,56)7)83-52-46(34(64)26(62)21-77-52)85-51-44(74)45(33(63)24(2)79-51)84-49-42(72)39(69)36(66)28(20-61)81-49/h9,23-24,26-52,60-74,76H,10-22H2,1-8H3

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KKZXMLYSEGPOCJ-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

KKZXMLYSEGPOCJ-UHFFFAOYSA-N

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