Maytansinol; 30-Hydroxy, 3-O-(3-methylbutanoyl)
AlkaPlorer ID: AK305369
Synonym: 30-Hydroxyansamitocin P4, C 15003 PHM4, Antibiotic C 15003 PHM4
IUPAC Name: [11-chloro-21-hydroxy-16-(hydroxymethyl)-12,20-dimethoxy-2,5,9-trimethyl-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] 3-methylbutanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)CC(CO)=CC=CC(OC)C1(O)CC(OC(O)=N1)C(C)C1OC1(C)C(OC(=O)CC(C)C)CC(=O)N2C
InChI: InChI=1S/C33H45ClN2O10/c1-18(2)11-28(39)45-26-15-27(38)36(5)22-13-21(14-23(42-6)29(22)34)12-20(17-37)9-8-10-25(43-7)33(41)16-24(44-31(40)35-33)19(3)30-32(26,4)46-30/h8-10,13-14,18-19,24-26,30,37,41H,11-12,15-17H2,1-7H3,(H,35,40)
InChIKey: QIBSCLKONCGALU-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 665.1800000000001
TPSA？: 159.88000000000002
MolLogP？: 3.890500000000002
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 4
Activities Information
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