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Substance Name: Xestospongin B
RN: 88840-01-1
InChIKey: VJEURJNEIZLTJG-UHFFFAOYSA-N

Note

  • Isolated from the sponge Xestospongia sp.

Molecular Formula

  • C29-H52-N2-O3

Molecular Weight

  • 476.741
 
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Names and Synonyms

Name of Substance

  • Xestospongin B

Synonym

  • Xestospongin B

Systematic Name

  • 5H,17H,1,23:11,13-Diethano-2H,14H-(1,11)dioxacycloeicosino(2,3-b:12,13-b')dipyridin-4a(24aH)-ol, octadecahydro-28-methyl-, (4aR*,11R*,12aS*,16aS*,23R*,24aS*,28S*)-(+)-

Registry Numbers

CAS Registry Number

  • 88840-01-1

System Generated Number

  • 0088840011

Structure Descriptors

InChI

1S/C29H52N2O3/c1-23-22-31-19-10-13-24-12-6-2-3-7-14-25-16-21-30-20-11-18-29(32,28(30)33-25)17-9-5-4-8-15-26(23)34-27(24)31/h23-28,32H,2-22H2,1H3

InChIKey

VJEURJNEIZLTJG-UHFFFAOYSA-N

Smiles

C1CCCCC[C@@H]2O[C@@H]3[C@@H](CCCCCC[C@@H]4O[C@@H]5[N@@](CCC[C@@]15O)CC4)CCC[N@@]3C[C@@H]2C