(3S,4S,5S,6S,6aR,10S,12R,15R,15aR,15bR)-3-benzyl-5,6,12-trihydroxy-4,5,10,12-tetramethyl-1-oxo-2H,3H,4H,6H,6aH,9H,10H,11H,15H,15bH-cycloundeca[e]isoindol-15-yl acetate
AlkaPlorer ID: AK337367
Synonym: None
IUPAC Name: [(1R,2R,3Z,5R,7S,9Z,11R,12S,13S,14S,15R,16S)-16-benzyl-5,12,13-trihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@@]312
InChI: InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9-,15-14-/t18-,19-,22-,23-,24+,25-,26-,28-,29-,30+/m0/s1
InChIKey: AVASIWUXPVFFGK-ZGCSGGDCSA-N
Reference
Three new 10-phenyl-(11)cytochalasans, cytochalasins N, O, and P from Phomopsis sp.
PubChem CID: 53316349
LOTUS: LTS0165848
Source
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Properties Information
Molecule Weight: 511.6590000000002
TPSA？: 119.58
MolLogP？: 3.7732000000000014
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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