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Substance Name: 21,22-Di-O-angeloyl-R(1)-barrigenol
RN: 92948-00-0
InChIKey: FWXLVXABZRYLST-WGXYYQAWSA-N

Note

  • Main sapogenol from fruits of Xanthoceras sorbifolia Bunge.

Molecular Weight

  • 670.922
 
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Names and Synonyms

Name of Substance

  • 21,22-Di-O-angeloyl-R(1)-barrigenol

Synonym

  • 21,22-Darb

Systematic Name

  • Olean-12-ene-3,15,16,21,22,28-hexol, 3-azido-7,12-dihydroxy-N-(2-(2-(iodo-125I)-1H-imidazol-4-yl)ethyl)-, (3beta,15alpha,16alpha,21beta(Z),22alpha(Z))-

Registry Numbers

CAS Registry Number

  • 92948-00-0

System Generated Number

  • 0092948000

Structure Descriptors

InChI

1S/C40H62O8/c1-12-22(3)33(45)47-31-32(48-34(46)23(4)13-2)40(21-41)25(20-35(31,5)6)24-14-15-27-37(9)18-17-28(42)36(7,8)26(37)16-19-38(27,10)39(24,11)29(43)30(40)44/h12-14,25-32,41-44H,15-21H2,1-11H3/b22-12-,23-13+/t25-,26-,27+,28-,29-,30+,31-,32-,37-,38+,39-,40-/m0/s1

InChIKey

FWXLVXABZRYLST-WGXYYQAWSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3([C@@]4(C)C(=CC[C@H]3[C@@]2(C)C1)[C@H]1[C@@]([C@H]([C@@H](C(C1)(C)C)OC(\C(=C/C)C)=O)OC(\C(C)=C\C)=O)(CO)[C@@H](O)[C@@H]4O)C)O