10-deacetylbaccatin III-13-O-[(4S,5R)-4-phenyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylate]

Modify Date: 2025-09-17 20:13:09

10-deacetylbaccatin III-13-O-[(4S,5R)-4-phenyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylate] Structure
10-deacetylbaccatin III-13-O-[(4S,5R)-4-phenyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylate] structure
Common Name 10-deacetylbaccatin III-13-O-[(4S,5R)-4-phenyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylate]
CAS Number 159262-93-8 Molecular Weight 847.94300
Density N/A Boiling Point N/A
Molecular Formula C46H57NO14 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 10-deacetylbaccatin III-13-O-[(4S,5R)-4-phenyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylate]
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C46H57NO14
Molecular Weight 847.94300
Exact Mass 847.37800
PSA 204.66000
LogP 4.68390
InChIKey CIUBIUNKJIOPPY-TYRUGJKKSA-N
SMILES CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C4OC(C)(C)N(C(=O)OC(C)(C)C)C4c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C

 Synthetic Route

~88%

10-deacetylbaccatin III-13-O-[(4S,5R)-4-phenyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylate] Structure

10-deacetylbacc...

CAS#:159262-93-8

Literature: DR. REDDY'S LABORATORIES LTD.; DR. REDDY'S LABORATORIES, INC. Patent:   WO2007/109654 A2, 2007 ; Location in patent: Page/Page column title page; 30; 1/31 ;

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

DCT-III
13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-10-deacetyl Baccatin III
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