Maytansinol; 15R-Hydroxy, 3-propanoyl
AlkaPlorer ID: AK305372
Synonym: Ansamitocin PHO 2, 15-Hydroxyansamitocin P2, C 15003 PHO 2, Antibiotic 15003 PHO 2
IUPAC Name: (11-chloro-15,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl) propanoate
Structure
SMILES: CCC(=O)OC1CC(=O)N(C)C2=CC(=CC(OC)=C2Cl)C(O)C(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12C
InChI: InChI=1S/C31H41ClN2O10/c1-8-25(36)43-23-14-24(35)34(5)19-12-18(13-20(40-6)26(19)32)27(37)16(2)10-9-11-22(41-7)31(39)15-21(42-29(38)33-31)17(3)28-30(23,4)44-28/h9-13,17,21-23,27-28,37,39H,8,14-15H2,1-7H3,(H,33,38)
InChIKey: KHJLMPNUGJREFG-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 637.1260000000001
TPSA？: 159.88000000000002
MolLogP？: 3.7729000000000017
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 4
Activities Information
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