(1S,2R,4S,5R,6R,7S,9R,12R)-5,12-bis(acetyloxy)-4-(benzoyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate
AlkaPlorer ID: AK399579
Synonym: None
IUPAC Name: [5,12-diacetyloxy-4-benzoyloxy-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)OC1C(OC(=O)C2=CC=CC=C2)CC(C)C23OC(C)(C)C(CC(OC(=O)C4=CC=CN=C4)C12CO)C3OC(C)=O
InChI: InChI=1S/C32H37NO10/c1-18-14-24(41-28(37)21-10-7-6-8-11-21)27(40-20(3)36)31(17-34)25(42-29(38)22-12-9-13-33-16-22)15-23-26(39-19(2)35)32(18,31)43-30(23,4)5/h6-13,16,18,23-27,34H,14-15,17H2,1-5H3
InChIKey: HJAQUAUHINNOKT-UHFFFAOYSA-N
Reference
Two New Sesquiterpene-ester Alkaloids from Maytenus myrsinoides Reiss. (Celastraceae)
PubChem CID: 569216
CAS: 93772-06-6
LOTUS: LTS0029746
COCONUT: CNP0216404.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monteverdia myrsinoides | Monteverdia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 595.6450000000003
TPSA？: 147.54999999999998
MolLogP？: 3.282000000000002
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|