2D Structure | |
CID | 13966494 |
Target | / |
IUPAC Name | (1S,2R,4R,7E,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one |
InChI | InChI=1S/C15H22O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,10-13H,4,6-8H2,1-3H3/b9-5+/t10-,11-,12-,13+,15+/m0/s1 |
InChI Key | GSVWPONNFJXHJL-IOCBBESTSA-N |
Canonical SMILES | CC1C2CCC(=CCCC3(C(C2OC1=O)O3)C)C |
Isomeric SMILES | C[C@H]1[C@@H]2CC/C(=C/CC[C@@]3([C@@H]([C@H]2OC1=O)O3)C)/C |
Molecular Formula | C15H22O3 |
Molecular Weight | 250.33 |
synonyms | ['11beta,13-Dihydroparthenolide', '11beta,13-dihydro-parthenolide', '11,13-Dihydroparthenolide', '2513-76-0', 'CHEMBL429762', 'SCHEMBL21213995', 'BDBM50433436'] |
From Pubchem