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Taxol C

Taxol C structure

CAS No:
153415-45-3
Formula:
C46H57NO14
Chemical Name:
Taxol C
Synonyms:
Benzenepropanoic acid,α-hydroxy-β-[(1-oxohexyl)amino]-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,(αR,βS)-;Benzenepropanoic acid,α-hydroxy-β-[(1-oxohexyl)amino]-,6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,[2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-;7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.;Taxol C;Taxuyunnanine A;(-)-Taxuyunnanine;Taxuyunnanine;Paclitaxel C;296253-03-7;156400-99-6
Categories:
Analytical Chemistry > Standard

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Taxol C Basic Attributes

Molecular Weight：

847.94308

Exact Mass：

847.94

DSSTox ID：

DTXSID00433334

Characteristics

PSA：

221

XLogP3：

7.22

Density：

1.34±0.1 g/cm3 (20 ºC 760 Torr)

Boiling Point：

932.3±65.0 °C(Predicted)

Flash Point：

517.6±34.3 °C

Refractive Index：

1.604

Vapor Pressure：

0mmHg at 25°C

Safety Information

Precautionary statement(s)：

P201, P202, P260, P264, P270, P281, P308+P313, P314, P405, P501

Hazard Statements：

H340

Taxol C Use and Manufacturing

Paclitaxel related compound C. Paclitaxel analogs were tested for tubulin assembly and cytotoxicity, and were shown to retain potency similar to Paclitaxel.

Computed Properties

Molecular Weight:847.9
XLogP3:2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:17
Exact Mass:847.37790549
Monoisotopic Mass:847.37790549
Topological Polar Surface Area:221
Heavy Atom Count:61
Complexity:1730
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PACLITAXEL C

CAS No.: 153415-45-3

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