Orthosiphol B

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1421

CAS

144078-08-0

Product Name

Orthosiphol B

Structure

Product Details

Description

Orthosiphol B is a natural product found in Orthosiphon aristatus.

IUPAC Name

[(2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-6,10a-dihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate

Molecular Weight

676.75

Molecular Formula

C38H44O11

Canonical SMILES

CC(=O)OC1CC2C(C(C(C(C2(C3C1(C(=O)C(CC3OC(=O)C4=CC=CC=C4)(C)C=C)O)C)OC(=O)C5=CC=CC=C5)O)OC(=O)C)(C)C

InChI

InChI=1S/C38H44O11/c1-8-36(6)20-25(48-32(42)23-15-11-9-12-16-23)29-37(7)26(19-27(46-21(2)39)38(29,45)34(36)44)35(4,5)30(47-22(3)40)28(41)31(37)49-33(43)24-17-13-10-14-18-24/h8-18,25-31,41,45H,1,19-20H2,2-7H3/t25-,26+,27-,28+,29-,30-,31+,36+,37+,38+/m1/s1

InChIKey

BXKNTIMTKVZYDP-OFUWLHILSA-N

Boiling Point

746.0±60.0 °C at 760 mmHg

Purity

97%

Density

1.30±0.1 g/cm3

Color

Yellow

Form

Powder