[(1s,3r,15s,18s,19r,20r,21s,24r,25r,26s)-25-(acetyloxy)-19,20,26-trihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-21-yl]methyl acetate
AlkaPlorer ID: AK006644
Synonym: '', '(1S,3R,15S,18S,19R,20R,21S,24R,25R,26S)-25-(acetyloxy)-19,20,26-trihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²hexacosa-7,9,11-trien-21-ylmethyl acetate', 'austronine', 'Austronine'
IUPAC Name: [(1S,3R,15S,18S,19R,20R,21S,24R,25R,26S)-25-acetyloxy-19,20,26-trihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
Structure
SMILES: CC(=O)OC[C@]12CC(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1CC[C@H](C)C(=O)O[C@@H]([C@H](O)[C@@H]2O)[C@]4(C)O
InChI: InChI=1S/C30H37NO13/c1-14-8-9-18-17(7-6-10-31-18)26(38)41-12-27(4)20-19(34)11-29(13-40-15(2)32)22(36)21(35)24(43-25(14)37)28(5,39)30(29,44-27)23(20)42-16(3)33/h6-7,10,14,20-24,35-36,39H,8-9,11-13H2,1-5H3/t14-,20+,21+,22-,23+,24-,27-,28-,29-,30-/m0/s1
InChIKey: PTEWEUOVIMGMBH-MOZJFFHCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plenckia populnea | Plenckia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 619.6200000000006
TPSA？: 205.08
MolLogP？: -0.1831999999999983
Number of H-Donors: 3
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|