(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-(acetyloxy)-4-(butanoyloxy)-5,9-dimethyl-8-oxo-11-(prop-1-en-2-yl)-2-(propanoyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate
AlkaPlorer ID: AK193597
Synonym: None
IUPAC Name: [(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-acetyloxy-4-butanoyloxy-5,9-dimethyl-8-oxo-2-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)CCC)[C@H]4[C@H]2OC(=O)CC)[C@H]13
InChI: InChI=1S/C35H43NO10/c1-8-11-26(39)44-28-20(5)16-35(46-21(6)37)27(28)30(45-25(38)9-2)34-18-42-33(7,32(35)41)29(34)23(19(3)4)13-14-24(34)43-31(40)22-12-10-15-36-17-22/h10,12-15,17,20,23-24,27-30H,3,8-9,11,16,18H2,1-2,4-7H3/t20-,23+,24+,27-,28-,29-,30+,33-,34-,35+/m0/s1
InChIKey: IIMSBQLKYAMJHZ-NZIWNJFOSA-N
Reference
Four diterpene esters from Euphorbia myrsinites
PubChem CID: 162993823
LOTUS: LTS0274835
SuperNatural Ⅲ: SN0146561-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia myrsinites | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 637.7260000000003
TPSA？: 144.39000000000004
MolLogP？: 4.334900000000004
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|