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Baccatin III

Baccatin III structure

CAS No:
27548-93-2
Formula:
C31H38O11
Chemical Name:
Baccatin III
Synonyms:
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-;7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-,[2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-;(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one;Baccatin III;NSC 330753
Categories:
Natural Products > Terpenes

Description

Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1].

Baccatin III is a tetracyclic diterpenoid isolated from plant species of the genus Taxus. It has a role as a plant metabolite. It is a tetracyclic diterpenoid, an acetate ester and a benzoate ester. It derives from a hydride of a taxane.|Baccatin III is a compound obtained from the needles of the Taxus baccata tree that is used as a precursor of paclitaxel.

Baccatin III Basic Attributes

Molecular Weight：

586.63

Exact Mass：

586.63

UNII：

40K5PZ0K67

NCI Thesaurus Code：

C1436

HScode：

29329990

Characteristics

PSA：

165.89000

XLogP3：

1.65260

Appearance：

White to off-white Solid

Density：

1.4±0.1 g/cm3

Melting Point：

243-245 °C

Boiling Point：

713.613°C at 760 mmHg

Flash Point：

226.9±26.4 °C

Refractive Index：

1.605

Water Solubility：

H2O: insoluble

Storage Conditions：

2-8°C

Vapor Pressure：

0mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1(b)

Transport codes：

1544

wgk germany：

hazard class code：

45-46-22-36/37/38-48/20/22

safety instructions：

53-22-26-36/37/39-45-24/25

Marks：

Stability/Shelf Life：

4 Year Shelf Life

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 129 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

baccatin III

Baccatin III Use and Manufacturing

immunomodulator, induces apoptosis Precursor of Taxol

Computed Properties

Molecular Weight:586.6
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:586.24141202
Monoisotopic Mass:586.24141202
Topological Polar Surface Area:166
Heavy Atom Count:42
Complexity:1200
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Baccatin III

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Baccatin III

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