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Substance Name: Agelasimine A
RN: 114216-85-2
InChIKey: YVDWEKJDGYJOJU-TWQBOSAFSA-N

Note

  • From marine sponge Agelas mauritiana.

Molecular Weight

  • 453.671
 
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Names and Synonyms

Name of Substance

  • Agelasimine A

Systematic Name

  • 4a(2H)-Naphthalenol, 1-(5-(3,6-dihydro-3-methyl-6-(methylimino)-7H-purin-7-yl)-3-methyl-3-pentenyl)octahydro-1,2,5,5-tetramethyl-, (1alpha(3E),2beta,4abeta)-(+)-

Registry Numbers

CAS Registry Number

  • 114216-85-2

System Generated Number

  • 0114216852

Structure Descriptors

InChI

1S/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12+,28-23+/t20-,21-,26+,27+/m1/s1

InChIKey

YVDWEKJDGYJOJU-TWQBOSAFSA-N

Smiles

C1[C@H]([C@]([C@H]2CCCC([C@@]2(C1)O)(C)C)(C)CC\C(=C\Cn1cnc2n(cn\c(c12)=N\C)C)C)C