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Substance Name: Colubrin
RN: 87834-09-1
InChIKey: ZIUOAVDHMLNSNY-LLIHLYDTSA-N

Molecular Weight

  • 941.11
 
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Names and Synonyms

Results Name

  • Colubrin

Synonym

  • Colubrin

Systematic Name

  • alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-beta-D-xylopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->3)-, 2-acetate

Registry Numbers

CAS Registry Number

  • 87834-09-1

System Generated Number

  • 0087834091

Structure Descriptors

InChI

1S/C48H76O18/c1-22(2)15-24-16-46(8,57)39-25-9-10-30-44(6)13-12-31(43(4,5)29(44)11-14-45(30,7)47(25)20-48(39,66-24)60-21-47)63-41-38(61-23(3)50)36(27(52)19-59-41)64-42-37(34(55)33(54)28(17-49)62-42)65-40-35(56)32(53)26(51)18-58-40/h15,24-42,49,51-57H,9-14,16-21H2,1-8H3/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33?,34-,35+,36-,37+,38+,39-,40-,41-,42-,44-,45+,46-,47-,48-/m0/s1

InChIKey

ZIUOAVDHMLNSNY-LLIHLYDTSA-N

Smiles

C1([C@@H](O[C@H]2[C@H](OC(C)=O)[C@H]([C@H](CO2)O)O[C@H]2[C@H](O[C@@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)[C@@H](O)[C@@H](O)[C@H](O2)CO)CC[C@@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]31C[C@@]1([C@@H]2[C@@](C[C@@H](O1)\C=C(\C)C)(C)O)OC3)C)C)(C)C