(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-14-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-8-yl pyridine-3-carboxylate
AlkaPlorer ID: AK043106
Synonym: None
IUPAC Name: [(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-triacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-8-(pyridine-3-carbonyloxy)-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(=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/C38H42N2O11/c1-20(2)27-12-13-28(49-33(44)25-10-8-14-39-17-25)37-19-46-36(7,31(27)37)35(50-34(45)26-11-9-15-40-18-26)38(51-24(6)43)16-21(3)30(47-22(4)41)29(38)32(37)48-23(5)42/h8-15,17-18,21,27-32,35H,1,16,19H2,2-7H3/t21-,27+,28+,29+,30-,31-,32+,35-,36+,37+,38+/m0/s1
InChIKey: FYIFMJORFGEHIK-JVHVZTGESA-N
Reference
Diterpenes from Euphorbia seguieriana
PubChem CID: 101683625
LOTUS: LTS0120577
SuperNatural Ⅲ: SN0098784-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia seguieriana | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 702.7570000000003
TPSA？: 166.51
MolLogP？: 4.216100000000004
Number of H-Donors: 0
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|