(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7,8-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate
AlkaPlorer ID: AK141356
Synonym: None
IUPAC Name: [(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7,8-triacetyloxy-5,9-dimethyl-4-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@H](OC(C)=O)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13
InChI: InChI=1S/C35H43NO11/c1-9-26(40)46-28-19(4)15-35(47-22(7)39)27(28)30(43-20(5)37)34-17-42-33(8,32(35)44-21(6)38)29(34)24(18(2)3)12-13-25(34)45-31(41)23-11-10-14-36-16-23/h10-14,16,19,24-25,27-30,32H,2,9,15,17H2,1,3-8H3/t19-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1
InChIKey: GUUVHELORAYJAH-PSNONLJUSA-N
Reference
Diterpenes from Euphorbia seguieriana
PubChem CID: 101683628
LOTUS: LTS0001478
SuperNatural Ⅲ: SN0115875-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia seguieriana | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 653.7250000000003
TPSA？: 153.62
MolLogP？: 3.917300000000002
Number of H-Donors: 0
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|