Maoecrystal B

Inquiry
For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1595
CAS
96850-29-2
Product Name
Maoecrystal B
Structure
Structure

Product Details

Description
Maoecrystal B comes from the herbs of Isodon eriocalyx.
Synonyms
Rabdosianone II
IUPAC Name
[(1R,2R,5R,7R,8R,9S,10S,11S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl] acetate
Molecular Weight
388.5
Molecular Formula
C22H28O6
Canonical SMILES
CC(=O)OC1C(=C)C2CCC3C1(C2)C4(C(C5C3(CO4)C(=O)C=CC5(C)C)O)O
InChI
InChI=1S/C22H28O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)18(11)28-12(2)23)17(25)16(20)19(3,4)8-7-15(20)24/h7-8,13-14,16-18,25-26H,1,5-6,9-10H2,2-4H3/t13-,14-,16+,17+,18-,20+,21-,22-/m1/s1
InChIKey
KNRAGAKNFNKKQF-AFBXHKAHSA-N
Boiling Point
534.8±50.0 °C(Predicted)
Melting Point
196-199 °C(Solv: methanol (67-56-1))
Purity
>98%
Density
1.34±0.1 g/cm3(Predicted)
Appearance
Cryst.
Color
Yellow
Form
Powder
pKa
11.73±0.70(Predicted)
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