2-Amino-4-nonadecene-1,3-diol; (2S,3R,4E)-form, N-(2R-Hydroxy-7Z-pentadecenoyl), 1-O-[3,4-dimethoxy-E-cinnamoyl-(→6)-α-D-glucopyranoside]
AlkaPlorer ID: AK286627
Synonym: Crispin B
IUPAC Name: None
Structure
SMILES: CCCCCCC/C=C/CCCCC(O)C(=O)NC(COC1OC(COC(=O)/C=C/C2=CC=C(OC)C(OC)=C2)C(O)C(O)C1O)C(O)/C=C/CCCCCCCCCCCCCC
InChI: InChI=1S/C51H85NO12/c1-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-41(53)40(52-50(59)42(54)31-29-27-25-23-20-16-14-12-10-8-6-2)37-63-51-49(58)48(57)47(56)45(64-51)38-62-46(55)35-33-39-32-34-43(60-3)44(36-39)61-4/h20,23,28,30,32-36,40-42,45,47-49,51,53-54,56-58H,5-19,21-22,24-27,29,31,37-38H2,1-4H3,(H,52,59)/b23-20+,30-28+,35-33+
InChIKey: UDXMBMHVDYRJQB-YMFKXQBCSA-N
Reference
CAS: 943034-73-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buddleja crispa | Buddleja | Scrophulariaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 904.2359999999996
TPSA？: 193.47
MolLogP？: 8.41550000000001
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|