| SpectraBase Spectrum ID |
9fUnMfRZHni |
| Name |
1H-3a,7-Methanoazulene-3-carboxylic acid, 2,3,4,7,8,8a-hexahydro-8-(5-hydroxy-4-methylpentyl)-6,8-dimethyl-, [3S-[3.alpha.,3a.alpha.,7.alpha.,8.alpha.(R*),8a.beta.]]- |
| Alternate Name(s) |
(1S,2S,5S,6R,7S)-6-(5-hydroxy-4-methylpentyl)-6,8-dimethyltricyclo[5.3.1.0(1,5)]undec-8-ene-2-carboxylic acid
2-epi-cadrene isoprenologne |
| CAS Registry Number |
101467-55-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32O3 |
| InChI |
InChI=1S/C20H32O3/c1-13(12-21)5-4-9-19(3)16-11-20(10-8-14(16)2)15(18(22)23)6-7-17(19)20/h8,13,15-17,21H,4-7,9-12H2,1-3H3,(H,22,23)/t13?,15-,16+,17+,19-,20-/m1/s1 |
| InChIKey |
CEHOPNRYQMPRON-WOCQPGOQSA-N |
| Molecular Weight |
320.473 g/mol |
| SMILES |
OCC(CCC[C@]1([C@]2([C@@]3([C@@](C(=O)O)(CC2)[H])C[C@@]1([H])C(=CC3)C)[H])C)C |
| SPLASH |
splash10-0kfx-0911000000-27adf314df5758f6dff8 |
| Source of Spectrum |
F-42-220-1 |
| Wiley ID |
1320425 |
![1H-3a,7-Methanoazulene-3-carboxylic acid, 2,3,4,7,8,8a-hexahydro-8-(5-hydroxy-4-methylpentyl)-6,8-dimethyl-, [3S-[3.alpha.,3a.alpha.,7.alpha.,8.alpha.(R*),8a.beta.]]-](/api/spectrum/9fUnMfRZHni/structure.png?h=300&w=458 "1H-3a,7-Methanoazulene-3-carboxylic acid, 2,3,4,7,8,8a-hexahydro-8-(5-hydroxy-4-methylpentyl)-6,8-dimethyl-, [3S-[3.alpha.,3a.alpha.,7.alpha.,8.alpha.(R*),8a.beta.]]-")
