Primary Record
Gniditrin
- In stock
- 6,777 g
- Purity
- 99.8 %
- CAS
- 55306-10-0
Compound Identifiers & Properties
- CAS
- 55306-10-0
- PubChem CID
- 101281330
- SMILES
- CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@]23[C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]([C@H]2[C@@H]6[C@]1(O[C@@](O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C
- Canonical SMILES
- C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C=C/CCC
Names & Synonyms
- Gniditrin
- CHEMBL4749992
- C37H42O10
- NSC 238943
- C37-H42-O10
- J13.223C
- 12beta-[(1-Oxo-2,4,6-decatrienyl)oxy]daphnetoxin
- (1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl (2E)-deca-2,4,6-trienoate
- (2S)-3abeta,3bbeta,3cbeta,4a,5,5a,8aalpha,9,10,10a-Decahydro-4abeta-hydroxymethyl-5beta,5abeta-dihydroxy-10abeta-(1-methylethenyl)-7,9alpha-dimethyl-10beta-[[(2E)-1-oxo-2,4,6-decatrienyl]oxy]-2-phenyl-6H-2,8balpha-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one
- [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E,6E)-deca-2,4,6-trienoate
- 55306-10-0