Hyponine C
AlkaPlorer ID: AK042489
Synonym: ''
IUPAC Name: [(1S,3S,13S,14S,17R,18S,19R,20S,21S,22R,23R,24R,25R)-18,19,21,22,24-pentaacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl benzoate
Structure
SMILES: CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34O[C@]2(C)COC(=O)C2=CC=CN=C2[C@@H](C)[C@H](C)C(=O)O[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(COC(=O)C2=CC=CC=C2)[C@@H]1OC(C)=O)[C@@]4(C)O
InChI: InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-23(4)46)36(60-26(7)49)42(19-55-38(51)27-14-11-10-12-15-27)35(59-25(6)48)31(56-22(3)45)29-33(58-24(5)47)43(42,41(34,9)53)62-40(29,8)18-54-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20-,21-,29+,31+,32+,33+,34+,35+,36-,40+,41+,42-,43-/m0/s1
InChIKey: QTSHSSCCEATRIZ-RILUBDNGSA-N
Reference
Structures of sesquiterpene polyol alkaloids from Tripterygium hypoglaucum
PubChem CID: 162842637
LOTUS: LTS0169201
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium hypoglaucum | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 867.8540000000002
TPSA？: 252.75
MolLogP？: 2.327400000000002
Number of H-Donors: 1
Number of H-Acceptors: 19
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|