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Substance Name: Scammonin II
RN: 131747-24-5
InChIKey: QHKWTUIZHFKQCZ-UHFFFAOYSA-N

Note

  • From Convolvulus scammonia.

Molecular Weight

  • 939.0912
 
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Names and Synonyms

Name of Substance

  • Scammonin II

Synonym

  • 11-(O-Glucopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxobutyl)mannopyranosyl-(1-2)-glucopyranosyl-(1-2)-6-deoxyglucopyranosyl)oxy-11-hydroxyhexadecanoic acid, intramol 1,3'''-ester

Systematic Name

  • Hexadecanoic acid, 11-((O-6-deoxy-beta-D-glucopyranosyl-(1-4)-O-(S)-6-deoxy-2-O-(2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-6-deoxy-beta-D-glucopyranosyl)oxy)-, intramol. 1,3'''-ester, (S)-

Registry Numbers

CAS Registry Number

  • 131747-24-5

System Generated Number

  • 0131747245

Structure Descriptors

InChI

1S/C45H78O20/c1-7-9-15-18-26-19-16-13-11-10-12-14-17-20-28(47)61-39-36(63-42-35(54)32(51)29(48)23(4)56-42)25(6)58-45(40(39)62-41(55)22(3)8-2)65-38-34(53)31(50)27(21-46)60-44(38)64-37-33(52)30(49)24(5)57-43(37)59-26/h22-27,29-40,42-46,48-54H,7-21H2,1-6H3

InChIKey

QHKWTUIZHFKQCZ-UHFFFAOYSA-N

Smiles

CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC(=O)C(C)CC)OC3C(C(C(OC3OC4C(C(C(OC4O1)C)O)O)CO)O)O)C)OC5C(C(C(C(O5)C)O)O)O