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Substance Name: Bistratene B
RN: 120853-14-7
InChIKey: KMZCFBWHAZZXAJ-JQGVWWMCSA-N

Note

  • From marine invertebrate Lissoclinum bistratum.

Molecular Weight

  • 747.02
 
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Names and Synonyms

Name of Substance

  • Bistratene B

Systematic Name

  • 2,17,28-Trioxa-13,26-diazatricyclo(14.7.4.16,9)octacosane-14,25-dione, 18-(6-(acetyloxy)-3,5-dimethyl-4-heptenyl)-6-hydroxy-8,15,23-trimethyl-3-(2-oxo-3-pentenyl)-

Registry Numbers

CAS Registry Number

  • 120853-14-7

System Generated Number

  • 0120853147

Structure Descriptors

InChI

1S/C42H70N2O9/c1-9-12-34(46)24-36-18-16-28(3)39(51-36)25-40(48)44-26-37(47)31(6)41(49)43-22-11-14-38-29(4)19-21-42(53-38)20-10-13-35(52-42)17-15-27(2)23-30(5)32(7)50-33(8)45/h9,12,23,27-29,31-32,35-39,47H,10-11,13-22,24-26H2,1-8H3,(H,43,49)(H,44,48)/b12-9+,30-23+

InChIKey

KMZCFBWHAZZXAJ-JQGVWWMCSA-N

Smiles

C1[C@@H]([C@@H](O[C@@H](C1)CC(\C=C\C)=O)CC(=O)NC[C@@H]([C@@H](C(=O)NCCC[C@@H]1O[C@@]2(CC[C@@H]1C)O[C@@H](CCC2)CC[C@@H](\C=C(\[C@@H](C)OC(=O)C)C)C)C)O)C