Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 4-hydroxy-, 1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-8-((2-methyl-1-oxo-2-butenyl)oxy)-4-azulenyl ester, (3S-(3alpha,3abeta,4beta,8beta(Z),8aalpha))-
RN: 105608-26-2
InChIKey: NUXKLJINNAOFAH-UGJQBVFASA-N

Molecular Formula

  • C27-H36-O6

Molecular Weight

  • 456.575
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Benzoic acid, 4-hydroxy-, 1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-8-((2-methyl-1-oxo-2-butenyl)oxy)-4-azulenyl ester, (3S-(3alpha,3abeta,4beta,8beta(Z),8aalpha))-

Registry Numbers

CAS Registry Number

  • 105608-26-2

System Generated Number

  • 0105608262

Structure Descriptors

InChI

1S/C27H36O6/c1-7-18(5)24(29)33-22-15-17(4)14-21(32-25(30)19-8-10-20(28)11-9-19)23-26(22,6)12-13-27(23,31)16(2)3/h7-11,15-16,21-23,28,31H,12-14H2,1-6H3/b18-7+/t21-,22+,23+,26+,27-/m0/s1

InChIKey

NUXKLJINNAOFAH-UGJQBVFASA-N

Smiles

C(c1ccc(cc1)O)(=O)O[C@@H]1[C@H]2[C@](CC[C@@]2([C@@H](C=C(C1)C)OC(\C(=C\C)C)=O)C)(C(C)C)O