Maoecrystal B

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For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1595

CAS

96850-29-2

Product Name

Maoecrystal B

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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