Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Candletoxin B
RN: 64854-98-4
InChIKey: ZYOWRJJLOWQJNS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C33-H42-O8

Molecular Weight

  • 566.6868
 
* 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

Results Name

  • Candletoxin B

Synonyms

  • BRN 2320031
  • Candletoxin B

Systematic Name

  • Benzeneacetic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-1-((2-methyl-1-oxobutoxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester

Registry Numbers

CAS Registry Number

  • 64854-98-4

System Generated Number

  • 0064854984

Structure Descriptors

InChI

1S/C33H42O8/c1-6-19(2)29(37)40-18-30(5)27-24-13-23(17-34)16-31(38)25(12-20(3)28(31)36)33(24,39)21(4)15-32(27,30)41-26(35)14-22-10-8-7-9-11-22/h7-13,19,21,24-25,27,34,38-39H,6,14-18H2,1-5H3

InChIKey

ZYOWRJJLOWQJNS-UHFFFAOYSA-N

Smiles

CCC(C)C(=O)OCC1(C)C2C3C=C(CO)CC4(O)C(C=C(C)C4=O)C3(O)C(C)CC12OC(=O)Cc5ccccc5