2-Debenzoyl-2-tigloyl 10-Deacetyl Baccatin III

Modify Date: 2025-09-13 11:29:17

2-Debenzoyl-2-tigloyl 10-Deacetyl Baccatin III Structure
2-Debenzoyl-2-tigloyl 10-Deacetyl Baccatin III structure
Common Name 2-Debenzoyl-2-tigloyl 10-Deacetyl Baccatin III
CAS Number 171926-87-7 Molecular Weight 522.585
Density 1.4±0.1 g/cm3 Boiling Point 679.2±55.0 °C at 760 mmHg
Molecular Formula C27H38O10 Melting Point N/A
MSDS N/A Flash Point 221.0±25.0 °C

 Names

Name 2-Debenzoyl-2-tigloyl 10-Deacetyl Baccatin III
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 679.2±55.0 °C at 760 mmHg
Molecular Formula C27H38O10
Molecular Weight 522.585
Flash Point 221.0±25.0 °C
Exact Mass 522.246521
PSA 159.82000
LogP 3.16
Vapour Pressure 0.0±4.8 mmHg at 25°C
Index of Refraction 1.589
InChIKey GADAUHGBDGVMET-ORSMARSKSA-N
SMILES CC=C(C)C(=O)OC1C2C3(OC(C)=O)COC3CC(O)C2(C)C(=O)C(O)C2=C(C)C(O)CC1(O)C2(C)C

 Synonyms

(2α,5β,7β,10β,13α)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl (2E)-2-methyl-2-butenoate
2-Butenoic acid, 2-methyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-12-yl ester, (2E)-
2-Debenzoyl-2-tigloyl 10-DAB
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