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Substance Name: Agelasine B
RN: 92664-76-1
InChIKey: YCSGSEAQYPDNAQ-FGOPRVDBSA-N

Note

  • Isolated from orange-colored sea sponge.

Molecular Formula

  • C26-H40-N5

Molecular Weight

  • 422.637
 
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Names and Synonyms

Name of Substance

  • Agelasine B

Synonym

  • Ags-B

Systematic Name

  • 7H-Purinium, 6-amino-9-methyl-7-(3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-2-pentenyl)-, (1S-(1alpha(E),2beta,4abeta,8aalpha))-

Registry Numbers

CAS Registry Number

  • 92664-76-1

System Generated Number

  • 0092664761

Structure Descriptors

InChI

1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)10-13-25(4)20(3)11-14-26(5)19(2)8-7-9-21(25)26/h8,12,16-17,20-21H,7,9-11,13-15H2,1-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26+/m1/s1

InChIKey

YCSGSEAQYPDNAQ-FGOPRVDBSA-N

Smiles

C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/C[n+]3cn(c4c3c(ncn4)N)C)/C)CCC=C2C)C