BGC > Produktsuche > Paclitaxel EP Impurity N | 27548-93-2

Molecular Formula: C31H38O11
Molecular Weight: 586.63
Hazard Symbols: T
UN Number: 1544
WGKGermany: 3
PackingGroup: III
HS Code: 29329990

Description:
Baccatin III is a tetracyclic diterpenoid isolated from the barks of Taxus yunnanensis. It can be used as an intermediate in the synthesis of paclitaxel.

• Molecular Weight:586.63
• Boiling Point:713.6±60.0°C at 760 mmHg
• Melting Point:243-245°C
• Purity:≥95%

Molecular Formula:
C31H38O11
Canonical SMILES:
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
InChI:
InChI=1S/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
InChIKey:
OVMSOCFBDVBLFW-VHLOTGQHSA-N
Solubility:
Soluble in Chloroform (Sparingly, Sonicated), Methanol (Slightly)
Appearance:
White to Off-white Solid
Storage: Store at -20°C
Synonyms:
4,10β-Bis(acetyloxy)-1,7β,13α-trihydroxy-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate; 13-O-de[(2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl]paclitaxel; Baccatin III; 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)-; (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; 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)]-; NSC 330753; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(Benzoyloxy)-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate