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Substance Name: Rubusoside
RN: 64849-39-4
UNII: TCV5K3M3GX
InChIKey: YWPVROCHNBYFTP-OSHKXICASA-N

Note

  • From RUBUS.

Molecular Formula

  • C32-H50-O13

Molecular Weight

  • 642.734
 
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Names and Synonyms

Name of Substance

  • Rubusoside

Synonym

  • UNII-TCV5K3M3GX

Systematic Name

  • Kaur-16-en-18-oic acid, 13-(beta-D-glucopyranosyloxy)-, beta-D-glucopyranosyl ester, (4alpha)-

Registry Numbers

CAS Registry Number

  • 64849-39-4

FDA UNII

  • TCV5K3M3GX

System Generated Number

  • 0064849394

Structure Descriptors

InChI

1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1

InChIKey

YWPVROCHNBYFTP-OSHKXICASA-N

Smiles

C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[C@](CC[C@@H]23)(C4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O