| SpectraBase Spectrum ID |
COeW2BFJnAb |
| Name |
Metachromin A |
| CAS Registry Number |
114466-74-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O4 |
| InChI |
InChI=1S/C22H30O4/c1-14(10-12-22(4)11-6-7-15(2)16(22)3)8-9-17-20(24)18(23)13-19(26-5)21(17)25/h8,13,15,24H,3,6-7,9-12H2,1-2,4-5H3/b14-8+/t15-,22-/m1/s1 |
| InChIKey |
IAMSURZACLERPY-XMRYUXBUSA-N |
| Molecular Weight |
358.478 g/mol |
| SMILES |
OC1=C(C(C(=CC1=O)OC)=O)C\C=C\(CC[C@@]1(C(=C)[C@](C)(CCC1)[H])C)C |
| SPLASH |
splash10-0avi-0986000000-5a6c31dd29929561f9bd |
| Source of Spectrum |
J-53-2857-1 |
| Synonyms |
3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylene-cyclohexyl]-3-methyl-pent-2-enyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylene-cyclohexyl]-3-methyl-pent-2-enyl]-2-hydroxy-5-methoxy-p-benzoquinone
3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylenecyclohexyl]-3-methylpent-2-enyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylidene-cyclohexyl]-3-methyl-pent-2-enyl]-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylidenecyclohexyl]-3-methylpent-2-enyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione |
| Wiley ID |
1347313 |
