Concept information
Preferred term
A80915C
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C26H33Cl3O6
inchi
- InChI=1S/C26H33Cl3O6/c1-12-14(30)9-13-18(19(12)31)21(33)25(29)11-17(28)23(4,5)35-26(25,20(13)32)10-15-22(2,3)16(27)7-8-24(15,6)34/h9,15-17,30-31,34H,7-8,10-11H2,1-6H3/t15?,16-,17+,24-,25-,26-/m0/s1
inchikey
- XGGIVXWAYKZBIV-JBPAMENMSA-N
mass
- 547.890
monoisotopicmass
- 546.13427
smiles
- Cl[C@@]12C(=O)C3=C(O)C(=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)=O)C
subset
- 2_STAR
synonym EXACT
- (3R,4aR,10aS)-3,4a-dichloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
- (3R,4aS,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-4,4a-dihydro-3H-benzo[g]chromene-5,10-dione
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:221222
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