UNPD21609
AlkaPlorer ID: AK155529
Synonym: None
IUPAC Name: [(1S,2S,5S,6S,9S,10S,13R,15S,16S,20S,23S,24S,25R,26R,27S)-1,10,24,26,27-pentahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl] (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)[C@@H](O)[C@H](O)[C@H]6[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@@H]5C[C@@]42OC[C@]13O
InChI: InChI=1S/C33H51NO8/c1-6-18(3)28(37)42-24-11-12-29(4)21-8-9-22-32(29,41-16-31(21,24)39)13-20-19-15-34-14-17(2)7-10-23(34)30(5,38)25(19)26(35)27(36)33(20,22)40/h6,17,19-27,35-36,38-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22+,23-,24-,25+,26+,27-,29-,30+,31+,32+,33-/m0/s1
InChIKey: ZAOIBYFIMMGYJQ-CLMJUTLZSA-N
Reference
A steroidal alkaloid from Veratrum oblongum
PubChem CID: 163019631
LOTUS: LTS0080238
SuperNatural Ⅲ: SN0465242-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum oblongum | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 589.7700000000001
TPSA？: 139.92000000000002
MolLogP？: 1.7747000000000006
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|