2'-Acetyl-7-epi-cephalomannine
AlkaPlorer ID: AK007327
Synonym: "(+)-2'-Acetyl-7-epi-cephalomannine"
IUPAC Name: [(1S,2S,3R,4S,7R,9R,10S,12R,15R)-4,12-diacetyloxy-15-[(2R,3S)-2-acetyloxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Structure
SMILES: C/C=C(\C)C(O)=N[C@@H](C1=CC=CC=C1)[C@@H](OC(C)=O)C(=O)O[C@@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
InChI: InChI=1S/C47H55NO15/c1-10-24(2)41(54)48-35(29-17-13-11-14-18-29)37(60-27(5)50)43(56)61-31-22-47(57)40(62-42(55)30-19-15-12-16-20-30)38-45(9,32(52)21-33-46(38,23-58-33)63-28(6)51)39(53)36(59-26(4)49)34(25(31)3)44(47,7)8/h10-20,31-33,35-38,40,52,57H,21-23H2,1-9H3,(H,48,54)/b24-10+/t31-,32-,33-,35+,36-,37-,38+,40+,45-,46+,47-/m1/s1
InChIKey: YQYRKKVPBWOSFA-QCBMGQFLSA-N
Reference
New Taxane Analogues from the Needles of <i>Taxus canadensis</i>
PubChem CID: 162869625
LOTUS: LTS0239881
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus canadensis | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 873.949
TPSA？: 230.85
MolLogP？: 4.799200000000004
Number of H-Donors: 3
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|