2-[[(E,2R,3R,6R)-2,3-dimethyl-6-[(3S,5R,6R,8R,9S,10R,13R,14S,15S,17R)-3,5,6,15-tetrahydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-4-enoyl]amino]ethanesulfonic acid
AlkaPlorer ID: AK087033
Synonym: None
IUPAC Name: None
Structure
SMILES: C[C@H](/C=C/[C@@H](C)[C@@H](C)C([O-])=NCCS(=O)(=O)O)[C@H]1C[C@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI: InChI=1S/C30H51NO8S/c1-17(19(3)27(35)31-12-13-40(37,38)39)6-7-18(2)23-15-24(33)26-21-14-25(34)30(36)16-20(32)8-11-29(30,5)22(21)9-10-28(23,26)4/h6-7,17-26,32-34,36H,8-16H2,1-5H3,(H,31,35)(H,37,38,39)/p-1/b7-6+/t17-,18-,19-,20+,21-,22+,23-,24+,25-,26-,28-,29-,30+/m1/s1
InChIKey: VCYYOBJSLQXFGK-ZRXMCPSASA-M
Reference
NPASS: NPC128909
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus chevalieri | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 584.796
TPSA？: 170.70999999999998
MolLogP？: 2.173800000000001
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|