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Substance Name: Hemsloside H1
RN: 102146-27-0
InChIKey: JEBITKGZRPWHKN-OYPDRGNZSA-N

Note

  • A chikusetsu saponin (Oleanolic Acid) or a curcurbitacin (Lanostane/Cucurbitacin) from the tubers of Hemsleya pengxianensis.

Molecular Formula

  • C59-H94-O28

Molecular Weight

  • 1251.3636
 
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Names and Synonyms

Name of Substance

  • Hemsloside H1

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta)-28-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-28-oxoolean-12-en-3-yl O-alpha-L-arabinopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-2))-

Registry Numbers

CAS Registry Number

  • 102146-27-0

System Generated Number

  • 0102146270

Structure Descriptors

InChI

1S/C59H94O28/c1-54(2)14-16-59(53(77)87-51-42(73)38(69)35(66)28(82-51)22-79-48-40(71)36(67)33(64)26(19-60)80-48)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)83-52-46(86-50-41(72)37(68)34(65)27(20-61)81-50)44(43(74)45(85-52)47(75)76)84-49-39(70)32(63)25(62)21-78-49/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)/t24?,25-,26+,27+,28+,29?,30+,31?,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46+,48+,49-,50-,51-,52+,56-,57+,58+,59?/m0/s1

InChIKey

JEBITKGZRPWHKN-OYPDRGNZSA-N

Smiles

C[C@]12CCC(C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CCC5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O