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Substance Name: Atomaric acid
RN: 55907-34-1
InChIKey: OZFVNSYPXRUABC-ABYCQCASSA-N

Note

  • From marine algae Stypopodium zonale; with antiviral activity against HMPV.

Molecular Formula

  • C28-H42-O4

Molecular Weight

  • 442.636
 
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Names and Synonyms

Results Name

  • Atomaric acid

Synonym

  • Atomaric acid

Systematic Name

  • 1-Naphthalenepropanoic acid, decahydro-5-((2-hydroxy-5-methoxy-3-methylphenyl)methyl)-5,6,8a-trimethyl-2-(1-methylethylidene)-, (1S-(1alpha,4abeta,5beta,6beta,8aalpha))-

Registry Numbers

CAS Registry Number

  • 55907-34-1

System Generated Number

  • 0055907341

Structure Descriptors

InChI

1S/C28H42O4/c1-17(2)22-8-10-24-27(5,23(22)9-11-25(29)30)13-12-19(4)28(24,6)16-20-15-21(32-7)14-18(3)26(20)31/h14-15,19,23-24,31H,8-13,16H2,1-7H3,(H,29,30)/t19-,23+,24-,27-,28-/m0/s1

InChIKey

OZFVNSYPXRUABC-ABYCQCASSA-N

Smiles

C1(\[C@H]([C@@]2(CC[C@@H]([C@]([C@H]2CC1)(C)Cc1c(c(cc(c1)OC)C)O)C)C)CCC(=O)O)=C(\C)C