(1S,3R,4S,4aR,8aR)-4-[(3E)-5-methoxy-3-methyl-5-oxopent-3-en-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl (3S,4S)-3,4-dimethyl-4,5-dihydropyrazole-3-carboxylate
AlkaPlorer ID: AK070889
Synonym: None
IUPAC Name: [(1S,3R,4S,4aR,8aR)-4-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl] (4S,5S)-4,5-dimethyl-3,4-dihydropyrazole-5-carboxylate
Structure
SMILES: COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)C[C@H](OC(=O)[C@@]2(C)N=NC[C@@H]2C)[C@@]2(C)C(C)=CCC[C@H]12
InChI: InChI=1S/C27H42N2O4/c1-17(14-23(30)32-8)12-13-25(5)19(3)15-22(26(6)18(2)10-9-11-21(25)26)33-24(31)27(7)20(4)16-28-29-27/h10,14,19-22H,9,11-13,15-16H2,1-8H3/b17-14+/t19-,20+,21-,22+,25+,26+,27+/m1/s1
InChIKey: KCVCQNTUDNRSLY-WVKVXAKVSA-N
Reference
Nine new clerodane diterpenoids from rhizomes of Solidago altissima
PubChem CID: 162846720
LOTUS: LTS0125056
SuperNatural Ⅲ: SN0182122-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solidago altissima | Solidago | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 458.6430000000003
TPSA？: 77.32000000000001
MolLogP？: 6.067000000000007
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|