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6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one

6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one structure

CAS No:
74285-86-2
Formula:
C20H24O3
Chemical Name:
6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
Synonyms:
Triptophenolide; 6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one;
Categories:
Pharmaceutical Intermediates > Antidepressants

Description

(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one is an oxo steroid.

6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one Basic Attributes

Molecular Weight：

312.40300

Exact Mass：

312.17254462 g/mol

Characteristics

PSA：

46.53000

XLogP3：

3.98290

Appearance：

white powder

Density：

1.21 g/cm3

Melting Point：

232-233ºC

Boiling Point：

490ºC at 760 mmHg

Flash Point：

202.4ºC

Refractive Index：

1.603

Collision Cross Section：

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

Safety Information

hazard class code：

R20/21/22

safety instructions：

S36/37

Drug Information

MeSH Entry Terms：

triptophenolide

Computed Properties

Molecular Weight:312.4
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:312.17254462
Monoisotopic Mass:312.17254462
Topological Polar Surface Area:46.5
Heavy Atom Count:23
Complexity:549
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 74285-86-2

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Xiamen Eagle Chemical Corporation Contact Supplier

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1 YR

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Triptophenolide

Unit Price: $1.1 /KG EXW

CAS No.: 74285-86-2

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AF Biochem Co.,Ltd Contact Supplier

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Triptophenolide 98% White to off-white powder AK Biotech

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Guide of 6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one

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Characteristics
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Drug Information
Computed Properties
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