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9-Dihydro-13-acetylbaccatin III

9-Dihydro-13-acetylbaccatin III structure

CAS No:
142203-65-4
Formula:
C33H42O12
Chemical Name:
9-Dihydro-13-acetylbaccatin III
Synonyms:
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol,2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-,6,9,12b-triacetate 12-benzoate,(2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-;7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol,2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-,6,9,12b-triacetate 12-benzoate,[2aR-(2aα,4β,4aβ,5α,6β,9α,11α,12α,12aα,12bα)]-;Di-O-deacetylbaccatin VI;13-Acetyl-9-dihydrobaccatin III;9-Dihydro-13-acetylbaccatin III;7,9-dideacetylbaccatin VI
Categories:
Biochemical Engineering > Chinese Herbs

Description

9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value:Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate.

9-Dihydro-13-acetylbaccatin III Basic Attributes

Molecular Weight：

630.67938

Exact Mass：

630.68

EC Number：

604-277-4

Characteristics

PSA：

148.82000

XLogP3：

0.69

Density：

1.36±0.1 g/cm3(Predicted)

Boiling Point：

704.5±60.0 °C(Predicted)

Flash Point：

193.0±25.0 °C

Refractive Index：

1.567

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

1544

wgk germany：

Drug Information

MeSH Entry Terms：

7,9-dideacetyl baccatin VI

Computed Properties

Molecular Weight:630.7
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:630.26762677
Monoisotopic Mass:630.26762677
Topological Polar Surface Area:175
Heavy Atom Count:45
Complexity:1270
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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13-Acetyl-9-dihydrobaccatin III

CAS No.: 142203-65-4

Content: 99.00%

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Guide of 9-Dihydro-13-acetylbaccatin III

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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9-Dihydro-13-acetylbaccatin III

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