(2S,3aS,4aR,6S,8S,8aS,9R,10R)-2,8,9-tris(acetyloxy)-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-{[(3S)-3-(methylamino)-3-phenylpropanoyl]oxy}-5-methylidene-2H,3H,4H,4aH,6H,7H,8H,9H,10H-cyclohexa[f]azulen-10-yl benzoate
AlkaPlorer ID: AK005902
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]([NH2+]C)C1=CC=CC=C1
InChI: InChI=1S/C43H53NO11/c1-24-31-22-43(41(6,7)50)23-34(51-26(3)45)25(2)37(43)38(55-40(49)30-18-14-11-15-19-30)39(53-28(5)47)42(31,8)35(52-27(4)46)21-33(24)54-36(48)20-32(44-9)29-16-12-10-13-17-29/h10-19,31-35,38-39,44,50H,1,20-23H2,2-9H3/p+1/t31-,32+,33-,34+,35-,38+,39-,42+,43+/m1/s1
InChIKey: CMACUXVMRMVDJW-UBWBMOTHSA-O
Reference
NPASS: NPC52127
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus brevifolia | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 760.901
TPSA？: 168.34000000000003
MolLogP？: 4.707100000000004
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|