2alpha-Acetoxy-2',7-dideacetoxyaustrospicatine
AlkaPlorer ID: AK000934
Synonym: ''
IUPAC Name: None
Structure
SMILES: C=C1[C@@H](OC(=O)C[C@H](C2=CC=CC=C2)[NH+](C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
InChI: InChI=1S/C39H53NO10/c1-21-30(50-32(45)20-29(40(10)11)27-15-13-12-14-16-27)17-18-39(9)34(21)35(47-24(4)42)28-19-31(46-23(3)41)22(2)33(38(28,7)8)36(48-25(5)43)37(39)49-26(6)44/h12-16,28-31,34-37H,1,17-20H2,2-11H3/p+1/t28-,29+,30-,31-,34-,35+,36+,37-,39+/m0/s1
InChIKey: GNZQUFKIYFRXLM-GHOYXMSVSA-O
Reference
New Taxoids from the Seeds of <i>Taxus</i> <i>chinensis</i>
LOTUS: LTS0074140
NPASS: NPC82517
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus chinensis | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 696.8580000000003
TPSA？: 135.94000000000003
MolLogP？: 4.249600000000003
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|