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Substance Name: Agelasidine D
RN: 139680-61-8
InChIKey: ZWSGURSNDHDWDQ-MMYYNYMCSA-N

Note

  • From Agelas clathrodes.

Molecular Formula

  • C23-H41-N3-O3-S

Molecular Weight

  • 439.661
 
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Names and Synonyms

Name of Substance

  • Agelasidine D

Synonyms

  • (1R-(1alpha(2E,6E),6beta))-(2-((3-(Hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)guanidine
  • (2-((3-(Hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)guanidine (1R-(1alpha(2E,6E),6beta))-

Systematic Name

  • Guanidine, (2-((3-(hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)-, (1R-(1alpha(2E,6E),6beta))-

Registry Numbers

CAS Registry Number

  • 139680-61-8

System Generated Number

  • 0139680618

Structure Descriptors

InChI

1S/C23H41N3O3S/c1-18(11-13-23(4)19(2)8-6-9-20(23)3)7-5-10-21(17-27)12-15-30(28,29)16-14-26-22(24)25/h7-8,12,20,27H,5-6,9-11,13-17H2,1-4H3,(H4,24,25,26)/b18-7+,21-12+/t20-,23+/m1/s1

InChIKey

ZWSGURSNDHDWDQ-MMYYNYMCSA-N

Smiles

N(C(N)=N)CCS(=O)(=O)C\C=C(/CC\C=C(\CC[C@]1(C(=CCC[C@H]1C)C)C)C)CO