baccatin III

Molecular Formula: C₃₁H₃₈O₁₁

InChI: InChI=1/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: InChIKey=OVMSOCFBDVBLFW-VHLOTGQHBZ
SMILES: [H][[email protected]]12[[email protected]](OC(=O)C3=CC=CC=C3)[[email protected]]4(O)C[[email protected]](O)C(C)=C([[email protected]@H](OC(C)=O)C(=O)[[email protected]]1(C)[[email protected]@H](O)C[[email protected]]5OC[[email protected]@]25OC(C)=O)C4(C)C

CAS number 27548-93-2

Names:
    Baccatin III
    baccatin III
    ZINC04102268
    27548-93-2
    [2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-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-

Registries:
    PubChem CID 65366
    Beilstein =1445625
    CAS 27548-93-2 (from NIST)
    ChEBI 32898
    Kegg C11900
    PubChem ID 12217642
    PubChem ID 14062