7-O-(Triethylsilyl)taxol

C53H65NO14SiCAS 148930-55-6968.18 g/mol

Open in Covalent MOL file
SiOOOOOOOHOOOHNHOOOO
AlcoholAlkeneEsterEtherKetoneSilyl ether

Properties

Molecular formula
C53H65NO14Si
Molar mass
968.18 g/mol
Exact mass
967.4174 Da
logP
7.34Crippen estimate
Polar surface area
213.8 Ų
H-bond donors / acceptors
3 / 14
Rotatable bonds
15
Stereocentres
S, R, S, R, S, S, S, R, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
148930-55-6
SMILES
CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](N=C(O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C
InChIKey
LKHIBBPOJARUFY-RGZLSWIJSA-N
InChI
InChI=1S/C53H65NO14Si/c1-10-69(11-2,12-3)68-38-28-39-52(30-63-39,67-33(6)56)44-46(66-48(60)36-26-20-15-21-27-36)53(62)29-37(31(4)40(50(53,7)8)43(64-32(5)55)45(58)51(38,44)9)65-49(61)42(57)41(34-22-16-13-17-23-34)54-47(59)35-24-18-14-19-25-35/h13-27,37-39,41-44,46,57,62H,10-12,28-30H2,1-9H3,(H,54,59)/t37-,38-,39+,41-,42+,43+,44-,46-,51+,52-,53+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (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-11-hydroxy-4A,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-B]oxet-9-yl ester, (αR,βS)-
  • Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-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.
  • 7-(Triethylsilyl)taxol
  • 7-O-(Triethylsilyl)paclitaxel
  • 7-O-(Triethylsilyl) paclitaxel

Work with 7-O-(Triethylsilyl)taxol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Epi-Taxol105454-04-484 % similar Paclitaxel33069-62-484 % similar 7-Xylosyltaxol90332-66-479 % similar 10-Deacetyltaxol78432-77-675 % similar 7-Epi-10-deacetyltaxol78454-17-875 % similar Cabazitaxel183133-96-275 % similar Cephalomannine71610-00-973 % similar 7-Xylosyl-10-deacetyltaxol90332-63-172 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook