(5R,9R,13S,15S,15aS,16S,18aS,18bR)-16-benzyl-5-hydroxy-9,15-dimethyl-14-methylidene-2,18-dioxo-5H,6H,7H,8H,9H,10H,13H,15H,15aH,16H,17H,18bH-oxacyclotetradeca[3,2-e]isoindol-13-yl acetate
AlkaPlorer ID: AK318636
Synonym: None
IUPAC Name: [(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6-hydroxy-10,17-dimethyl-16-methylidene-3,21-dioxo-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-dien-15-yl] acetate
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1OC(C)=O
InChI: InChI=1S/C31H39NO6/c1-19-10-8-14-24(34)16-17-27(35)38-31-25(15-9-11-19)29(37-22(4)33)21(3)20(2)28(31)26(32-30(31)36)18-23-12-6-5-7-13-23/h5-7,9,12-13,15-17,19-20,24-26,28-29,34H,3,8,10-11,14,18H2,1-2,4H3,(H,32,36)/b15-9+,17-16+/t19-,20-,24-,25+,26+,28+,29-,31-/m1/s1
InChIKey: GCERPZSZVAOMGR-QOFCDOINSA-N
Reference
Putaminoxins D and E from phoma putaminum
PubChem CID: 163192975
LOTUS: LTS0085112
SuperNatural Ⅲ: SN0101729-01
NPASS: NPC147905
Source
Properties Information
Molecule Weight: 521.6540000000003
TPSA？: 105.42000000000002
MolLogP？: 4.903200000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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