(2S,3aS,4aR,6S,8S,8aS,9R,10R)-2,8,9-tris(acetyloxy)-6-{[(3S)-3-(dimethylamino)-3-phenylpropanoyl]oxy}-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2H,3H,4H,4aH,6H,7H,8H,9H,10H-cyclohexa[f]azulen-10-yl benzoate
AlkaPlorer ID: AK102101
Synonym: None
IUPAC Name: None
Structure
SMILES: C=C1[C@H]2C[C@]3(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C3[C@H](OC(=O)C3=CC=CC=C3)[C@@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)C[C@H]1OC(=O)C[C@@H](C1=CC=CC=C1)[NH+](C)C
InChI: InChI=1S/C44H55NO11/c1-25-32-23-44(42(6,7)51)24-35(52-27(3)46)26(2)38(44)39(56-41(50)31-19-15-12-16-20-31)40(54-29(5)48)43(32,8)36(53-28(4)47)22-34(25)55-37(49)21-33(45(9)10)30-17-13-11-14-18-30/h11-20,32-36,39-40,51H,1,21-24H2,2-10H3/p+1/t32-,33+,34-,35+,36-,39+,40-,43+,44+/m1/s1
InChIKey: WLZHLAWAFOOOBD-CVCZSMTMSA-O
Reference
NPASS: NPC285720
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus brevifolia | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 774.928
TPSA？: 156.17000000000002
MolLogP？: 4.658400000000004
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|