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Substance Name: Angasiol acetate
RN: 123967-75-9
InChIKey: SJYSXOUMHQMJSR-UHFFFAOYSA-N

Note

  • From Aplysia juliana.

Molecular Weight

  • 520.299
 
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Names and Synonyms

Name of Substance

  • Angasiol acetate

Systematic Name

  • 7,3a-(Epoxymethano)-3aH-inden-9-one, 1-((1-(acetyloxy)-4-bromo-3,3-dimethylcyclohexyl)methyl)-4-bromooctahydro-7-methyl-, (1S-(1alpha(1R*,4R*),3abeta,4beta,7beta,7aalpha))-

Registry Numbers

CAS Registry Number

  • 123967-75-9

System Generated Number

  • 0123967759

Structure Descriptors

InChI

1S/C22H32Br2O4/c1-13(25)27-21(9-7-15(23)19(2,3)12-21)11-14-5-10-22-16(24)6-8-20(4,17(14)22)28-18(22)26/h14-17H,5-12H2,1-4H3

InChIKey

SJYSXOUMHQMJSR-UHFFFAOYSA-N

Smiles

C1C[C@@H]([C@@]23CC[C@@H]([C@@H]2[C@@]1(C)OC3=O)C[C@@]1(CC([C@@H](CC1)Br)(C)C)OC(C)=O)Br