(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,13S,15R,16R)-2,4,7,8,16-pentakis(acetyloxy)-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl pyridine-3-carboxylate
AlkaPlorer ID: AK252071
Synonym: None
IUPAC Name: [(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,13S,15R,16R)-2,4,7,8,16-pentaacetyloxy-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34[C@@H](OC(C)=O)O[C@@](C)([C@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@@H]1C)[C@@H]3[C@@H]1[C@H](C[C@H]4OC(=O)C2=CC=CN=C2)C1(C)C
InChI: InChI=1S/C36H45NO13/c1-16-14-35(49-21(6)42)26(27(16)44-17(2)38)29(45-18(3)39)36-24(48-30(43)22-11-10-12-37-15-22)13-23-25(33(23,7)8)28(36)34(9,31(35)46-19(4)40)50-32(36)47-20(5)41/h10-12,15-16,23-29,31-32H,13-14H2,1-9H3/t16-,23-,24+,25-,26+,27-,28-,29+,31-,32-,34+,35+,36-/m0/s1
InChIKey: HELDDHKCYSRHNP-GBEKXHNUSA-N
Reference
Eight New Diterpenoids fromEuphorbia decipiens
PubChem CID: 162886449
LOTUS: LTS0146694
SuperNatural Ⅲ: SN0123343-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia polycaulis | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 699.7500000000001
TPSA？: 179.92000000000002
MolLogP？: 3.3302000000000023
Number of H-Donors: 0
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|