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巴卡汀III

Baccatine III

CAS: 27548-93-2

Molecular Formula: C31H38O11

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巴卡汀III - Names and Identifiers

Name Baccatine III
Synonyms baccatin Ⅲ
BACCATIN III
Baccatin III
BACCATINE III
Baccatine III
(1S)-4α,10β-Bis(acetoxy)-2α-(benzoyloxy)-5β,20-epoxy-1,7β,13α-trihydroxytaxa-11-ene-9-one
(2alpha,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,7,13-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
(2alpha,3xi,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,7,13-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoatato
(2alpha,3beta,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,7,13-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
(1beta,2alpha,5beta,7beta,10alpha,13alpha)-4,10-bis(acetyloxy)-1,7,13-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
6α,12bβ-Diacetoxy-12β-benzoyloxy-1,2aβ,3,4,4a,6,9,10,11,12,12aβ,12b-dodecahydro-4α,9β,11β-trihydroxy-4aα,8,13,13-tetramethyl-7,11α-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5-one
(2aR)-6α,12bβ-Diacetoxy-12β-benzoyloxy-1,2aβ,3,4,4a,6,9,10,11,12,12aβ,12b-dodecahydro-4α,9β,11β-trihydroxy-4aα,8,13,13-tetramethyl-7,11α-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5-one
(2aR)-6α,12bβ-Bisacetoxy-12β-(benzoyloxy)-1,2aβ,3,4,4a,6,9,10,11,12,12aβ,12b-dodecahydro-4α,9β,11β-trihydroxy-4aα,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5-one
CAS 27548-93-2
InChI InChI=1/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24+,26-,29+,30-,31+/m0/s1

巴卡汀III - Physico-chemical Properties

Molecular FormulaC31H38O11
Molar Mass586.63
Density1.2062 (rough estimate)
Melting Point229-234 °C
Boling Point562.81°C (rough estimate)
Flash Point226.872°C
Water Solubilityinsoluble
Solubility Soluble in chloroform, methanol
Vapor Presure0mmHg at 25°C
AppearanceWhite powder or crystal
ColorWhite to off-white
pKa12.76±0.70(Predicted)
Storage ConditionSealed in dry,Store in freezer, under -20°C
Stability4 Year Shelf Life
Refractive Index1.5455-1.5475
MDLMFCD00153921
Physical and Chemical PropertiesMelting point 229-234°C
refractive index 1.5455-1.5475
water-soluble insoluble

巴卡汀III - Risk and Safety

Hazard SymbolsT - Toxic
Toxic
Risk CodesR45 - May cause cancer
R46 - May cause heritable genetic damage
R22 - Harmful if swallowed
R36/37/38 - Irritating to eyes, respiratory system and skin.
R48/20/22 -
Safety DescriptionS53 - Avoid exposure - obtain special instructions before use.
S22 - Do not breathe dust.
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S24/25 - Avoid contact with skin and eyes.
UN IDs1544
WGK Germany3
HS Code29329990
Hazard Class6.1(b)
Packing GroupIII

巴卡汀III - Reference

Reference
Show more
1. Zhu fengzhicheng, Liu xiangsheng et al. Optimization of process conditions for formation of 10-DAB from bacatin III by response surface methodology [J]. Biotechnological Bulletin 2017(4).
2. Zhu Fengzhi, Yang Yanan, Zhang Kun, etc. Screening and identification of microorganisms for transformation of 10-deacetylating bacatin Ⅲ into bacatin Ⅲ [J]. Natural product research and development, 2016, 28(7): 1108-1134.
3. Chen ran, Li Xing, Jiang Feng, etc. Simultaneous determination of five taxanes in wine by high performance liquid chromatography-tandem mass spectrometry [J]. Science and Technology of food industry, 2019, 040(022):254-258.
4. Li Yang et al. [IF = 4.411]. "Seasonal Dynamics of Metabolites in Needles of Taxus wallichana var. mairei." Molecules. 2016 Oct;21(10):1403

巴卡汀III - Reference Information

biological activity Baccatin III is a natural product isolated from Pacific yew tree and its relatives. Baccatin III can delay tumor development by reducing MDSCs accumulation and inhibiting its function.
use precursor of taxol
Last Update:2024-04-09 20:49:11
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View History
巴卡汀III
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反-2-甲氧基肉桂酸
2-(2-吗啉-4-基乙氧基)苯胺
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屈西多巴
IMIDAZOLE-4-ACETIC ACID HYDROCHLORIDE
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