(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,21,22-tris(acetyloxy)-20-[(acetyloxy)methyl]-19-(benzoyloxy)-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-24-yl benzo
AlkaPlorer ID: AK120242
Synonym: None
IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,21,22-triacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-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-24-yl] benzoate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)C4=CC=CC=C4)[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(=O)C1=CC=CC=C1)[C@]4(C)O
InChI: InChI=1S/C48H51NO18/c1-24-25(2)41(54)65-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(64-42(55)30-16-11-9-12-17-30)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3/t24-,25+,33-,35-,36+,37-,38+,39-,40+,45+,46+,47-,48+/m1/s1
InChIKey: PYDAEIINPZJDBO-OZBBEUAKSA-N
Reference
Two new terpenes from Tripterygium wilfordii
PubChem CID: 163013090
LOTUS: LTS0052810
SuperNatural Ⅲ: SN0298287-09
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monteverdia ebenifolia | Monteverdia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 929.9250000000004
TPSA？: 252.75
MolLogP？: 3.621300000000003
Number of H-Donors: 1
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|