UNPD57539
AlkaPlorer ID: AK137852
Synonym: None
IUPAC Name: [(1R,2S,5S,6S,9S,10S,13R,15R,16S,20S,23S,24R,25S,26S)-1,10,15,24,25,26-hexahydroxy-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[C@H](O)[C@@]6(O)[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@@]42OC[C@]13O
InChI: InChI=1S/C33H51NO9/c1-6-19(3)26(36)43-25-11-12-27(4)20-8-9-21-30(39)13-24(35)33(41)22(15-34-14-18(2)7-10-23(34)28(33,5)37)31(30,40)16-32(21,27)42-17-29(20,25)38/h6,18,20-25,35,37-41H,7-17H2,1-5H3/b19-6-/t18-,20-,21-,22-,23-,24-,25-,27-,28+,29+,30+,31+,32+,33-/m0/s1
InChIKey: UWGBIKPRXRSRNM-MDGXCQEFSA-N
Reference
A steroidal alkaloid from Veratrum oblongum
PubChem CID: 162889893
LOTUS: LTS0271019
SuperNatural Ⅲ: SN0381791-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum oblongum | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 605.7690000000002
TPSA？: 160.14999999999998
MolLogP？: 1.033700000000001
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|