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Substance Name: Pedunculoside
RN: 42719-32-4
InChIKey: RMRAJRYZJLBOPL-SYJAQTCDSA-N

Note

  • From leaves of Ilex chinensis.

Molecular Formula

  • C36-H58-O10

Molecular Weight

  • 665.8789
 
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Names and Synonyms

Name of Substance

  • Pedunculoside

Synonym

  • Pedunculosyl-3,23-O-acetalcyclohexanone

Systematic Name

  • Urs-12-en-28-oic acid, 3,19,23-trihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 42719-32-4

System Generated Number

  • 0042719324

Structure Descriptors

InChI

1S/C37H61O10/c1-21-11-15-37(19-36(21,6)45,31(44)47-30-29(43)28(42)27(41)23(18-38)46-30)16-14-34(4)22(17-37)7-8-25-32(2)12-10-26(40)33(3,20-39)24(32)9-13-35(25,34)5/h7,21,23-30,38-43,45H,8-20H2,1-6H3/t21-,23-,24-,25-,26+,27-,28+,29-,30+,32+,33+,34-,35-,36+/m1/s1

InChIKey

RMRAJRYZJLBOPL-SYJAQTCDSA-N

Smiles

C[C@@H]1CC[C]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)C2)(C[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O