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Substance Name: Elatoside B
RN: 156856-38-1
InChIKey: YDZWHGJRWMQCDP-RPZIOYONSA-N

Note

  • From bark of Aralia elata.

Molecular Formula

  • C48-H76-O19

Molecular Weight

  • 957.109
 
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Names and Synonyms

Results Name

  • Elatoside B

Synonym

  • Elatoside B

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta)-17-carboxy-28-norolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-galactopyranosyl-(1-3))-

Registry Numbers

CAS Registry Number

  • 156856-38-1

System Generated Number

  • 0156856381

Structure Descriptors

InChI

1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(67-40-33(56)31(54)29(52)24(20-50)63-40)35(34(57)36(66-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22-,23+,24+,25-,26+,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1

InChIKey

YDZWHGJRWMQCDP-RPZIOYONSA-N

Smiles

O([C@H]1[C@@H]([C@H](O[C@H](O[C@@H]2C([C@@H]3CC[C@@]4([C@@]5(CC[C@@]6(CCC(C)(C)C[C@@H]6C5=CC[C@H]4[C@@]3(CC2)C)C(O)=O)C)C)(C)C)[C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C(O)=O)O)[C@@H]1O[C@@H]([C@H](O)[C@@H]([C@H]1O)O)CO