(1S,3R,13R,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-22,24-bis(acetyloxy)-20-[(acetyloxy)methyl]-19,25-dihydroxy-3,13,14,25-tetramethyl-21-[(2-methylpropanoyl)oxy]-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trie
AlkaPlorer ID: AK097149
Synonym: None
IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-22,24-diacetyloxy-20-(acetyloxymethyl)-19,25-dihydroxy-3,13,14,25-tetramethyl-21-(2-methylpropanoyloxy)-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(=O)C(C)C)[C@H](OC(C)=O)[C@@H]3[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(=O)C1=CN(C)C(=O)C=C1)[C@@H]2O)[C@]4(C)O
InChI: InChI=1S/C43H52N2O18/c1-19(2)36(51)62-35-30(58-23(6)47)28-33(59-24(7)48)43-41(9,55)34(31(32(50)42(35,43)18-56-22(5)46)60-38(53)25-13-14-27(49)45(10)16-25)61-37(52)21(4)20(3)29-26(12-11-15-44-29)39(54)57-17-40(28,8)63-43/h11-16,19-21,28,30-35,50,55H,17-18H2,1-10H3/t20-,21+,28-,30-,31-,32+,33-,34+,35-,40+,41+,42+,43+/m1/s1
InChIKey: QLAVSQPWMBXKPX-UPWPQFDASA-N
Reference
Sesquiterpene pyridine alkaloids from Hippocratea excelsa
PubChem CID: 162968419
LOTUS: LTS0218718
SuperNatural Ⅲ: SN0308400-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Semialarium mexicanum | Semialarium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 884.8850000000002
TPSA？: 268.67999999999995
MolLogP？: 1.091400000000005
Number of H-Donors: 2
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|