| SpectraBase Spectrum ID |
FC6hW2PvkKm |
| Name |
(3S,4aS,10aR)-7-isopropyl-3-hydroxy-8-methoxy-4a-methyl-1-(bromomethyl)-3,4,4a,9,10,10a-hexahydrophenanthren-2-carbaldehyde |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H27BrO3 |
| InChI |
InChI=1S/C21H27BrO3/c1-12(2)13-5-7-17-14(20(13)25-4)6-8-18-15(10-22)16(11-23)19(24)9-21(17,18)3/h5,7,11-12,18-19,24H,6,8-10H2,1-4H3/t18-,19-,21+/m0/s1 |
| InChIKey |
UOUFYWXYLYKJOT-IRFCIJBXSA-N |
| Molecular Weight |
407.348 g/mol |
| SMILES |
O[C@]1(C[C@]2([C@](C(=C1C=O)CBr)(CCc1c2ccc(c1OC)C(C)C)[H])C)[H] |
| SPLASH |
splash10-0a4i-0009600000-7419208cfc1db26c978b |
| Source of Spectrum |
F-67-907-13 |
| Synonyms |
(3S,4aS,10aR)-1-(bromomethyl)-3-hydroxy-8-methoxy-4a-methyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxaldehyde
(3S,4aS,10aR)-1-(bromomethyl)-3-hydroxy-8-methoxy-4a-methyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carbaldehyde
(3S,4aS,10aR)-1-(bromomethyl)-8-methoxy-4a-methyl-3-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carbaldehyde |
| Wiley ID |
1713120 |
