(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-tris(acetyloxy)-14-(benzoyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-8-yl pyridine-3-carboxylate
AlkaPlorer ID: AK036599
Synonym: None
IUPAC Name: [(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-triacetyloxy-14-benzoyloxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] pyridine-3-carboxylate
Structure
SMILES: C=C(C)[C@H]1C=C[C@@H](OC(=O)C2=CC=CC=C2)[C@@]23CO[C@@](C)([C@H](OC(=O)C4=CC=CN=C4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]4[C@H]2OC(C)=O)[C@H]13
InChI: InChI=1S/C39H43NO11/c1-21(2)28-15-16-29(49-34(44)26-12-9-8-10-13-26)38-20-46-37(7,32(28)38)36(50-35(45)27-14-11-17-40-19-27)39(51-25(6)43)18-22(3)31(47-23(4)41)30(39)33(38)48-24(5)42/h8-17,19,22,28-33,36H,1,18,20H2,2-7H3/t22-,28+,29+,30+,31-,32-,33+,36-,37+,38+,39+/m0/s1
InChIKey: WWCPXZSRMMZWRD-FAXIRFPESA-N
Reference
Diterpenes from Euphorbia seguieriana
PubChem CID: 101683626
LOTUS: LTS0040418
SuperNatural Ⅲ: SN0421587-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia seguieriana | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 701.7690000000003
TPSA？: 153.62
MolLogP？: 4.821100000000005
Number of H-Donors: 0
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|