Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Butenoic acid, 2-methyl-, 8-(acetyloxy)-1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-1,4-azulenediyl ester, (1R-(1a(Z),3a,3abeta,4b(Z),8b,8aalpha))-
RN: 105594-05-6
InChIKey: LGWYBXLHOBUUPU-CHVYORJYSA-N

Molecular Weight

  • 476.606
 
* 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

  • 2-Butenoic acid, 2-methyl-, 8-(acetyloxy)-1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-1,4-azulenediyl ester, (1R-(1a(Z),3a,3abeta,4b(Z),8b,8aalpha))-

Registry Numbers

CAS Registry Number

  • 105594-05-6

System Generated Number

  • 0105594056

Structure Descriptors

InChI

1S/C27H40O7/c1-10-17(6)24(29)33-20-12-16(5)13-21(32-19(8)28)26(9)22(34-25(30)18(7)11-2)14-27(31,15(3)4)23(20)26/h10-11,13,15,20-23,31H,12,14H2,1-9H3/b17-10+,18-11-/t20-,21+,22+,23+,26-,27-/m0/s1

InChIKey

LGWYBXLHOBUUPU-CHVYORJYSA-N

Smiles

C1[C@H]([C@@]2([C@@H](C=C(C[C@@H]([C@@H]2[C@]1(C(C)C)O)OC(\C(=C\C)C)=O)C)OC(=O)C)C)OC(\C(=C/C)C)=O