(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl pyridine-3-carboxylate
AlkaPlorer ID: AK264148
Synonym: None
IUPAC Name: [(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-2,4,7-triacetyloxy-1-(acetyloxymethyl)-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-15-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(OC(C)=O)C(=O)[C@@]3(C)OC(C)(C)[C@@H](C=C[C@H]1OC(=O)C1=CC=CN=C1)[C@H]23
InChI: InChI=1S/C34H41NO12/c1-17-14-34(46-21(5)39)25(26(17)43-19(3)37)28(44-20(4)38)33(16-42-18(2)36)24(45-29(40)22-10-9-13-35-15-22)12-11-23-27(33)32(8,30(34)41)47-31(23,6)7/h9-13,15,17,23-28H,14,16H2,1-8H3/t17-,23-,24+,25+,26-,27-,28+,32-,33+,34+/m0/s1
InChIKey: DHOFOOLUGSPOFF-FSHZCWIOSA-N
Reference
New Bioactive Diterpene Polyesters from <i>Euphorbia </i><i>d</i><i>ecipiens</i>
PubChem CID: 10865221
LOTUS: LTS0074574
SuperNatural Ⅲ: SN0065919-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia polycaulis | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 655.6970000000003
TPSA？: 170.69
MolLogP？: 2.930200000000001
Number of H-Donors: 0
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|