Rzedowskin D
AlkaPlorer ID: AK193340
Synonym: '3R-3alpha,5beta,5aalpha,6alpha(E),7beta,9beta,9aalpha,10R*-5-(Acetyloxy)octahydro-7,9-dihydroxy-2,2,5a,9-tetramethyl-6-(1-oxo-3-phenyl-2-propenyl)oxy-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid'
IUPAC Name: [(1S,2S,4R,5R,6R,7S,9R,12S)-7-acetyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-5-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)O[C@H]1C[C@@H]2[C@H](OC(=O)C3=CC=CN=C3)[C@@]3(OC2(C)C)[C@@]1(C)[C@@H](OC(=O)/C=C/C1=CC=CC=C1)[C@H](O)C[C@]3(C)O
InChI: InChI=1S/C32H37NO9/c1-19(34)39-24-16-22-26(41-28(37)21-12-9-15-33-18-21)32(42-29(22,2)3)30(4,38)17-23(35)27(31(24,32)5)40-25(36)14-13-20-10-7-6-8-11-20/h6-15,18,22-24,26-27,35,38H,16-17H2,1-5H3/b14-13+/t22-,23-,24+,26+,27+,30+,31-,32+/m1/s1
InChIKey: VOPIONKNVUFWFB-ZTYMGEEKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Orthosphenia mexicana | Orthosphenia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 579.6460000000002
TPSA？: 141.48000000000002
MolLogP？: 3.2533000000000025
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|