Cevadine

enlarge

Systematic / IUPAC Name: (3β,4α,9β,16β)-4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl (2Z)-2-methyl-2-butenoate

ID: Reference1969

Other Names: Cevadene;
Cevadin;
Veratrine (crystallized);
Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), (3β(Z),4α,16β)-;
(Z)-4-α,9-Epoxycevane-3-β,4,12,14,16-β,17,20-heptol 3-(2-methyl-2-butenoate)

Formula: C32H49NO9

Spectral Data

Cevadine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 10:16:10 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1
InChI Key DBUCFOVFALNEOO-HWBIYQLFSA-N
Canonical SMILES CC=C(C)C(=O)OC1CCC2(C3C1(OC24CC5(C6CN7CC(CCC7C(C6(C(CC5(C4CC3)O)O)O)(C)O)C)O)O)C
CAS
Splash
Other Names Cevadene;
Cevadin;
Veratrine (crystallized);
Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), (3β(Z),4α,16β)-;
(Z)-4-α,9-Epoxycevane-3-β,4,12,14,16-β,17,20-heptol 3-(2-methyl-2-butenoate);
Cevane-3-β,4-β,12,14,16-β,17,20-heptol, 4,9-epoxy-, 3-(2-methylcrotonate), (Z)-

In Other Databases

ChemSpider 4508547
ChemIDPlus 000062599
PubChem 5380394
ChEMBL CHEMBL2163790