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Substance Name: Sakurasosaponin
RN: 59527-84-3
InChIKey: XHQPPRZQWSUZJV-MEXQKDRRSA-N

Note

  • From Jacquinia flammea.

Molecular Weight

  • 1251.4072
 
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Names and Synonyms

  • Sakurasosaponin

Registry Numbers

CAS Registry Number

  • 59527-84-3

System Generated Number

  • 0059527843

Structure Descriptors

InChI

1S/C60H98O27/c1-23-32(64)36(68)40(72)49(78-23)84-44-38(70)33(65)24(2)79-51(44)86-45-39(71)35(67)26(21-62)81-52(45)83-43-42(74)46(85-50-41(73)37(69)34(66)25(20-61)80-50)53(87-47(43)48(75)76)82-31-12-13-56(7)27(55(31,5)6)10-14-57(8)28(56)11-15-60-29-18-54(3,4)16-17-59(29,22-77-60)30(63)19-58(57,60)9/h23-47,49-53,61-74H,10-22H2,1-9H3,(H,75,76)/t23-,24-,25+,26+,27?,28?,29?,30+,31-,32-,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43-,44+,45+,46+,47-,49-,50-,51-,52-,53+,56-,57+,58-,59?,60-/m0/s1

InChIKey

XHQPPRZQWSUZJV-MEXQKDRRSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2O[C@@H]3[C@H]([C@H]([C@H](O[C@H]3O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(=O)O)O[C@H]5CC[C@@]6(C7CC[C@@]89C1CC(CCC1(CO8)[C@@H](C[C@]9([C@@]7(CCC6C5(C)C)C)C)O)(C)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)CO)O)O)C)O)O)O)O)O