Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bis(helenalinyl)malonate
RN: 68322-91-8
InChIKey: YTQIEACOYYTJSM-UHFFFAOYSA-N

Note

  • 2 helenalin moieties joined via malonate ester.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H36-O10

Molecular Weight

  • 592.637
 
* 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

Name of Substance

  • Bis(helenalinyl)malonate

Synonyms

  • BHM
  • Bis(helenalinyl) malonate
  • BRN 5207604

Systematic Name

  • Propanedioic acid, bis(2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno(6,5-b)furan-4-yl) ester, (3aR-(3-alpha,4-alpha(3'aR*,4'S*,4'aR*,7'aR*,8'R*,9'aR*),4a-beta,7a-alpha,8-alpha,9a-alpha))-

Registry Numbers

CAS Registry Number

  • 68322-91-8

System Generated Number

  • 0068322918

Structure Descriptors

InChI

1S/C33H36O10/c1-14-11-20-26(16(3)30(38)40-20)28(32(5)18(14)7-9-22(32)34)42-24(36)13-25(37)43-29-27-17(4)31(39)41-21(27)12-15(2)19-8-10-23(35)33(19,29)6/h7-10,14-15,18-21,26-29H,3-4,11-13H2,1-2,5-6H3

InChIKey

YTQIEACOYYTJSM-UHFFFAOYSA-N

Smiles

C1(C([C@@H]2[C@@H]([C@@]3([C@@H](C=CC3=O)[C@@H](C)C[C@@H]2O1)C)OC(CC(O[C@@H]1[C@@]2([C@@H](C=CC2=O)[C@@H](C[C@@H]2[C@@H]1C(C(=O)O2)=C)C)C)=O)=O)=C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Toxicology. Vol. 64, Pg. 205, 1990.