Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pulcherralpin
RN: 105389-29-5
InChIKey: QDVSQQYDMLUPGR-OFYFIDOVSA-N

Note

  • A diterpene ester isolated from Caesalpinia pulcherrima.

Molecular Formula

  • C30-H40-O7

Molecular Weight

  • 512.639
 
* 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

  • Pulcherralpin

Systematic Name

  • 2-Phenanthreneacetic acid, tetradecahydro-8a,10-dihydroxy-1,4b,8,8-tetramethyl-3-oxo-9-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1R-(1alpha,2beta,4aalpha,4bbeta,8aalpha,9beta(E),10beta,10abeta))-

Registry Numbers

CAS Registry Number

  • 105389-29-5

System Generated Number

  • 0105389295

Structure Descriptors

InChI

1S/C30H40O7/c1-18-20(16-24(33)36-5)22(31)17-21-25(18)26(34)27(30(35)28(2,3)14-9-15-29(21,30)4)37-23(32)13-12-19-10-7-6-8-11-19/h6-8,10-13,18,20-21,25-27,34-35H,9,14-17H2,1-5H3/b13-12+/t18-,20-,21-,25-,26+,27+,29+,30+/m0/s1

InChIKey

QDVSQQYDMLUPGR-OFYFIDOVSA-N

Smiles

c1(ccccc1)\C=C\C(O[C@H]1[C@@]2(C(C)(C)CCC[C@@]2([C@@H]2[C@@H]([C@H]([C@@H](C(C2)=O)CC(OC)=O)C)[C@H]1O)C)O)=O