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Substance Name: Anemarsaponin B
RN: 139051-27-7
InChIKey: ROHLIYKWVMBBFX-DWGYQJTISA-N

Note

  • From Anemarrhena asphodeloides.

Molecular Formula

  • C45-H74-O18

Molecular Weight

  • 903.062
 
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Names and Synonyms

Name of Substance

  • Anemarsaponin B

Synonym

  • 26-O-beta-D-Glucopyranosylfurost-20(22)-ene-3-beta,26-diol-3-O-beta-D-glucopyranosyl-(1-2)-beta-D-galactopyranoside

Systematic Name

  • beta-D-Galactopyranoside, (3beta,5beta)-26-(beta-D-glucopyranosyloxy)furost-20(22)-en-3-yl 2-O-beta-D-glucopyranosyl-

Registry Numbers

CAS Registry Number

  • 139051-27-7

System Generated Number

  • 0139051277

Structure Descriptors

InChI

1S/C45H74O18/c1-19(18-57-41-38(55)35(52)32(49)28(15-46)60-41)5-8-26-20(2)31-27(59-26)14-25-23-7-6-21-13-22(9-11-44(21,3)24(23)10-12-45(25,31)4)58-43-40(37(54)34(51)30(17-48)62-43)63-42-39(56)36(53)33(50)29(16-47)61-42/h19,21-25,27-43,46-56H,5-18H2,1-4H3/t19?,21?,22?,23?,24?,25?,27-,28+,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-/m0/s1

InChIKey

ROHLIYKWVMBBFX-DWGYQJTISA-N

Smiles

O([C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)[C@@H](O)[C@H](O1)CO)[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]5[C@H](C[C@@H]4[C@@H]3CC[C@@H]2C1)OC(=C5C)CC[C@@H](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)C)C)C