15-Acetoxyverruculogen
AlkaPlorer ID: AK072870
Synonym: '', '81657-39-8'
IUPAC Name: [(9R,14S,17S,19S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraen-19-yl] acetate
Structure
SMILES: COC1=CC=C2C3=C4[C@H](CC(C)(C)OO[C@H](C=C(C)C)N4C2=C1)N1C(=O)[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@]1(O)[C@H]3O
InChI: InChI=1S/C29H35N3O9/c1-14(2)9-22-31-19-10-16(38-6)7-8-18(19)23-24(31)21(12-28(4,5)41-40-22)32-26(35)20-11-17(39-15(3)33)13-30(20)27(36)29(32,37)25(23)34/h7-10,17,20-22,25,34,37H,11-13H2,1-6H3/t17-,20-,21-,22+,25-,29+/m0/s1
InChIKey: SVIHNQHJZUQMBA-CSCOGZIDSA-N
Source
Properties Information
Molecule Weight: 569.6110000000004
TPSA？: 140.00000000000003
MolLogP？: 2.3967000000000005
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|