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HOMOPTEROCARPIN

HOMOPTEROCARPIN structure

CAS No:
606-91-7
Formula:
C17H16O4
Chemical Name:
HOMOPTEROCARPIN
Synonyms:
homopterocarpin;(6ar,11ar)-3,9-dimethoxy-6a,11a-dihydro-6h-[1]benzofuro[3,2-c]chromene;3,9-Dimethoxypterocarpan;(6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran;Homopterocarpin isomer;Spectrum_000462;SpecPlus_000212;Spectrum2_000372;Spectrum3_000139
Categories:
Natural Products > Phenols

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Description

(6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran is a member of pterocarpans.

HOMOPTEROCARPIN Basic Attributes

Molecular Weight：

284.30654

Exact Mass：

284.104858

HScode：

2932999099

Characteristics

PSA：

36.9

XLogP3：

3.14

Density：

1.2±0.1 g/cm3

Boiling Point：

395.0±42.0 °C at 760 mmHg

Flash Point：

140.4±34.7 °C

Refractive Index：

1.589

Collision Cross Section：

162.7 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Drug Information

MeSH Entry Terms：

homopterocarpin

Computed Properties

Molecular Weight:284.31
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:284.10485899
Monoisotopic Mass:284.10485899
Topological Polar Surface Area:36.9
Heavy Atom Count:21
Complexity:374
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes