[(1S,3S,13R,14R,17R,18R,19S,20R,21S,23R,24S,25S)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
AlkaPlorer ID: AK412321
Synonym: None
IUPAC Name: [(1S,3S,13S,14S,17S,18S,19S,20R,21S,24R,25S)-18,19,21,24-tetraacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
Structure
SMILES: CC(=O)OC[C@@]12[C@H](OC(C)=O)C(=O)C3[C@@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)C1=CC=CN=C1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@]4(C)O
InChI: InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23?,26+,27+,28+,29-,30+,33+,34-,35-,36-/m0/s1
InChIKey: IMIAGCONYJPMDY-ZOSQRTJZSA-N
Reference
Sesquiterpene alkaloids from Tripterygium hypoglaucum
PubChem CID: 101593065
LOTUS: LTS0035119
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euonymus nanus | Euonymus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 761.7300000000002
TPSA？: 243.51999999999992
MolLogP？: 0.6709000000000036
Number of H-Donors: 1
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|