Sulpinine B
AlkaPlorer ID: AK035696
Synonym: 'Sulpinine B', ''
IUPAC Name: (1S,2R,5S,7R,8R,11S,14S)-1,2-dimethyl-20-(2-methylbut-3-en-2-yl)-7-prop-1-en-2-yl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaene-8,11-diol
Structure
SMILES: C=CC(C)(C)C1=CC=C2C3=C(NC2=C1)[C@@]1(C)[C@@H](CC[C@@]2(O)C4=C[C@@H](O)[C@@H](C(=C)C)O[C@H]4CC[C@@]21C)C3
InChI: InChI=1S/C32H41NO3/c1-8-29(4,5)19-9-10-21-22-15-20-11-14-32(35)23-17-25(34)27(18(2)3)36-26(23)12-13-30(32,6)31(20,7)28(22)33-24(21)16-19/h8-10,16-17,20,25-27,33-35H,1-2,11-15H2,3-7H3/t20-,25+,26-,27+,30+,31+,32+/m0/s1
InChIKey: XPYLFGPDHCCOLE-IDNFIPLESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sulphureus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 487.6840000000003
TPSA？: 65.48
MolLogP？: 6.017300000000008
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|