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ChemicalBook--->CAS DataBase List--->27548-93-2

27548-93-2

27548-93-2 Structure

27548-93-2 Structure
IdentificationBack Directory
[Name]

Baccatine III
[CAS]

27548-93-2
[Synonyms]

baccatin Ⅲ
NSC 330753
BACCATIN III
BACCATINE III
BACCATIN III 98%
Baccatine III,95%
Baccatin III >=95% (HPLC)
(1S)-4α,10β-Bis(acetoxy)-2α-(benzoyloxy)-5β,20-epoxy-1,7β,13α-trihydroxytaxa-11-ene-9-one
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
(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,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
[Molecular Formula]

C31H38O11
[MDL Number]

MFCD00153921
[MOL File]

27548-93-2.mol
[Molecular Weight]

586.63
Chemical PropertiesBack Directory
[Appearance]

White to Off-White Powder
[Melting point ]

229-234 °C
[Boiling point ]

562.81°C (rough estimate)
[density ]

1.2062 (rough estimate)
[refractive index ]

1.5455-1.5475
[storage temp. ]

2-8°C
[solubility ]

DMSO : 125 mg/mL (213.08 mM; Need ultrasonic)
[form ]

Solid
[pka]

12.76±0.70(Predicted)
[color ]

White to off-white
[Water Solubility ]

insoluble
[Stability:]

4 Year Shelf Life
[CAS DataBase Reference]

27548-93-2
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Powder
[Uses]

A precursor to Paclitaxel, a neoplasm inhibitor to ovarian and breast cancers found in Taxus species
[Uses]

immunomodulator, induces apoptosis
[Definition]

ChEBI: A tetracyclic diterpenoid isolated from plant species of the genus Taxus.
[storage]

Store at -20°C
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

45-46-22-36/37/38-48/20/22
[Safety Statements ]

53-22-26-36/37/39-45-24/25
[RIDADR ]

1544
[WGK Germany ]

3
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29329990
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