Neoorthosiphol A

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For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1420

CAS

243448-72-8

Product Name

Neoorthosiphol A

Structure

Product Details

Description

Neoorthosiphol A is a natural product found in Orthosiphon aristatus.

IUPAC Name

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

Molecular Weight

692.75

Molecular Formula

C38H44O12

Canonical SMILES

CC(=O)OC1CC2C(C(C(C(C2(C3C1(C(=O)C(C(C3OC(=O)C4=CC=CC=C4)C=C)(C)O)O)C)OC(=O)C5=CC=CC=C5)OC(=O)C)O)(C)C

InChI

InChI=1S/C38H44O12/c1-8-24-27(49-32(42)22-15-11-9-12-16-22)29-36(6)25(19-26(47-20(2)39)38(29,46)34(44)37(24,7)45)35(4,5)30(41)28(48-21(3)40)31(36)50-33(43)23-17-13-10-14-18-23/h8-18,24-31,41,45-46H,1,19H2,2-7H3/t24-,25-,26+,27+,28-,29+,30+,31-,36-,37-,38-/m0/s1

InChIKey

PBUZGANPVDYQRM-FRZINCLTSA-N

Boiling Point

754.3±60.0 °C at 760 mmHg

Purity

98%

Density

1.34±0.1 g/cm3

Form

Powder

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