Primary record
Taxuyunnanine
- CAS
- 153415-45-3
- PubChem CID
- 5317124
- SMILES
- CCCCCC(=O)NC(C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O
- Molecular Formula
- C46H57NO14
- Molecular Weight
- 847.955
- Exact Mass
- 847.3779
- InChI
- InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)/t30-,31+,32+,35?,36+,37+,38-,40-,44+,45-,46+/m0/s1
- InChIKey
- BEHTXUBGUDGCNQ-YOGGUJKVSA-N
- LogP
- 4.0022
- TPSA
- 221.29
Names and synonyms
- Taxuyunnanine
- Taxol C
- Paclitaxel C
- CID5317124
- 153415-45-3