TL 909 cas 791635-59-1
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1. What is TL 909?
TL 909 (CAS NO.791635-59-1) in HANGZHOU HOLYPHARM BIOTECH CO.,LTD is the synonym of simotaxel whose chemical name is 2-Thiophenepropanoicacid, a-hydroxy-b-[[(1-methylethoxy)carbonyl]amino]-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-6-[(cyclopentylcarbonyl)oxy]-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-ylester, (aR,bR)-.
Simotaxel formula is C46H57 NO15S. Simotaxel CAS 791635-59-1 molecular weight is 896.00748 g/mol.
2. TL 909 related information
Simotaxel Structure:
Others:
(1) Inchi: InChI=1/C46H57NO15S/c1-23(2)58-42(55)47-33(29-18-13-19-63-29)34(50)41(54)59-28-21-46(56)38(61-40(53)27-14-9-8-10-15-27)36-44(7,30(49)20-31-45(36,22-57-31)62-25(4)48)37(51)35(32(24(28)3)43(46,5)6)60-39(52)26-16-11-12-17-26/h8-10,13-15,18-19,23,26,28,30-31,33-36,38,49-50,56H,11-12,16-17,20-22H2,1-7H3,(H,47,55)/t28?,30-,31?,33-,34+,35+,36?,38?,44+,45?,46+/m0/s1;
(2) Canonical SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CS5)NC(=O)OC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C7CCCC7;
(3) Isomers smiles: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CS5)NC(=O)OC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C7CCCC7.
Verified Supplier
HANGZHOU HOLYPHARM BIOTECH CO.,LTD
- Country: China (Mainland)
- Year Established: 2009
- Business License:
- Business type: Other
- Integral:
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