Primary record
Baccatin III
- CAS
- 27548-93-2
- PubChem CID
- 65366
- SMILES
- CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
- Molecular Formula
- C31H38O11
- Molecular Weight
- 586.634
- Exact Mass
- 586.2414
- InChI
- InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
- InChIKey
- OVMSOCFBDVBLFW-VHLOTGQHSA-N
- LogP
- 1.6526
- TPSA
- 165.89
Names and synonyms
- Baccatin III
- BACCATINE III
- Baccatin
- 27548-93-2
- Baccatin III?
- Paclitaxel EP Impurity N
- b(2aH)-diyl diacetate
- 10-Deacetylbaccatin III
- RefChem:116207
- Baccatin III (Standard)
- UNII-40K5PZ0K67
- NSC 330753
- 40K5PZ0K67
- CHEBI:32898
- BACCATIN III [WHO-DD]
- C31H38O11
- MFCD00153921
- AC1L234D
- CHEMBL288043
- DTXSID301029474
- SCHEMBL3118475
- ERK5-5M19
- HY-N6985R
- EX-A832
- OVMSOCFBDVBLFW-VHLOTGQHSA-N
- DTXCID501514724
- NITRONIUMHEXAFLUOROANTIMONATE
- NSC-330753
- Baccatin III, >=95% (HPLC)
- CID65366