2-[(2S,3aR,4R,5R,6S,8aR)-2,6-dihydroxy-3,8-dimethylidene-4-[(2S)-pyrrolidine-2-carbonyloxy]-octahydroazulen-5-yl]prop-2-enoic acid
AlkaPlorer ID: AK129908
Synonym: None
IUPAC Name: 2-[(2S,3aR,4R,5R,6S,8aR)-2,6-dihydroxy-3,8-dimethylidene-4-[(2S)-pyrrolidine-2-carbonyl]oxy-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]prop-2-enoic acid
Structure
SMILES: C=C(C(=O)O)[C@H]1[C@H](OC(=O)[C@@H]2CCCN2)[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]1O
InChI: InChI=1S/C20H27NO6/c1-9-7-15(23)17(11(3)19(24)25)18(16-10(2)14(22)8-12(9)16)27-20(26)13-5-4-6-21-13/h12-18,21-23H,1-8H2,(H,24,25)/t12-,13-,14-,15-,16-,17+,18+/m0/s1
InChIKey: HDPVXRRHYPQQSU-MJRVHVRYSA-N
Reference
One new sesquiterpene from Saussurea laniceps
PubChem CID: 163049007
LOTUS: LTS0039021
SuperNatural Ⅲ: SN0122751-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saussurea laniceps | Saussurea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.4370000000001
TPSA？: 116.09
MolLogP？: 0.7811999999999992
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|