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Substance Name: Jaspisamide C
RN: 149420-78-0
InChIKey: XGTLKZLKDQCQIQ-AMFGEKGLSA-N

Note

  • Isolated from the Okinawan sponge Jaspis.

Molecular Weight

  • 851.001
 
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Names and Synonyms

Name of Substance

  • Jaspisamide C

Systematic Name

  • Kabiramide C, 21-O-de(aminocarbonyl)-23,24-didehydro-14-demethoxy-23-demethyl-25-deoxy-25-oxo-

Registry Numbers

CAS Registry Number

  • 149420-78-0

System Generated Number

  • 0149420780

Structure Descriptors

InChI

1S/C45H62N4O12/c1-27-13-10-11-16-40-46-34(24-58-40)44-48-35(25-60-44)45-47-33(23-59-45)43(57-9)31(5)36(52)15-12-14-32(51)21-41(54)61-39(27)22-38(55-7)28(2)17-18-37(53)30(4)42(56-8)29(3)19-20-49(6)26-50/h11-12,15-16,19-20,23-32,38-39,42-43,51H,10,13-14,17-18,21-22H2,1-9H3/b15-12+,16-11-,20-19+

InChIKey

XGTLKZLKDQCQIQ-AMFGEKGLSA-N

Smiles

C(=O)(CC[C@@H]([C@@H](C[C@@H]1OC(C[C@@H](CC=CC([C@@H]([C@@H](c2coc(c3coc(c4coc(n4)C=CCC[C@@H]1C)n3)n2)OC)C)=O)O)=O)OC)C)[C@@H]([C@@H]([C@@H](\C=C\N(C=O)C)C)OC)C