(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl (2R)-2-methylbutanoate
AlkaPlorer ID: AK147524
Synonym: None
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (2R)-2-methylbutanoate
Structure
SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@H]2[C@@]4(C)CC[C@H](OC)[C@@]32[C@@H]1N(CC)C4
InChI: InChI=1S/C29H47NO7/c1-8-15(3)24(31)37-21-16-12-17-20(21)27(32,13-18(16)34-5)29(33)23(36-7)22-26(4)11-10-19(35-6)28(17,22)25(29)30(9-2)14-26/h15-23,25,32-33H,8-14H2,1-7H3/t15-,16-,17-,18+,19+,20-,21+,22-,23+,25+,26+,27-,28+,29-/m1/s1
InChIKey: QCBDBBVOICJTEF-TYSFSATASA-N
Reference
Further norditerpenoid alkaloids from Delphinium cardiopetalum
PubChem CID: 162938411
LOTUS: LTS0051839
SuperNatural Ⅲ: SN0301313-01
NPASS: NPC208392
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Abies holophylla | Abies | Pinaceae | Pinales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
| Jatropha gossypiifolia | Jatropha | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 521.6950000000003
TPSA？: 97.69
MolLogP？: 2.2415000000000003
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|