Concept information
Preferred term
باکاتین III
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
alt_id
- CHEBI:13870
- CHEBI:29546
charge
- 0
formula
- C31H38O11
has_parent_hydride
has_role
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
mass
- 586.62682
monoisotopicmass
- 586.24141
smiles
- [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C
subset
- 3_STAR
synonym EXACT
- 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate
- baccatin III
- Baccatin III
synonym RELATED
- [2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:32898
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