(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-(acetyloxy)-5,9-dimethyl-8-oxo-11-(prop-1-en-2-yl)-2,4-bis(propanoyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate
AlkaPlorer ID: AK175435
Synonym: None
IUPAC Name: [(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-acetyloxy-5,9-dimethyl-8-oxo-2,4-di(propanoyloxy)-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate
Structure
SMILES: C=C(C)[C@H]1C=C[C@@H](OC(=O)C2=CC=CN=C2)[C@]23CO[C@](C)(C(=O)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@H]4[C@H]2OC(=O)CC)[C@H]13
InChI: InChI=1S/C34H41NO10/c1-8-24(37)43-27-19(5)15-34(45-20(6)36)26(27)29(44-25(38)9-2)33-17-41-32(7,31(34)40)28(33)22(18(3)4)12-13-23(33)42-30(39)21-11-10-14-35-16-21/h10-14,16,19,22-23,26-29H,3,8-9,15,17H2,1-2,4-7H3/t19-,22+,23+,26-,27-,28-,29+,32-,33-,34+/m0/s1
InChIKey: PFKLAHVLCZSMBB-PNUHPAACSA-N
Reference
Four diterpene esters from Euphorbia myrsinites
PubChem CID: 163016746
LOTUS: LTS0153263
SuperNatural Ⅲ: SN0283964-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia myrsinites | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 623.6990000000004
TPSA？: 144.39000000000004
MolLogP？: 3.9448000000000025
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|