| SpectraBase Spectrum ID |
8d8HRO8OzbA |
| Name |
1-Naphthalenecarboxylic acid, decahydro-4-hydroxy-4A-methyl-7-(1-methylethyl)-8-[(1-oxo-3-phenyl-2- propenyl)oxy]-, methyl ester, [1S-(1.alpha.,4.beta.,4A.alpha.,7.alpha.,8.alpha.,8A.beta.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.240624190 u |
| Formula |
C25H34O5 |
| InChI |
InChI=1S/C25H34O5/c1-16(2)18-14-15-25(3)20(26)12-11-19(24(28)29-4)22(25)23(18)30-21(27)13-10-17-8-6-5-7-9-17/h5-10,13,16,18-20,22-23,26H,11-12,14-15H2,1-4H3/b13-10-/t18-,19-,20-,22+,23+,25-/m0/s1 |
| InChIKey |
MYUACHJYYCBZTB-JMRZOFMNSA-N |
| Molecular Weight |
414.542 g/mol |
| SMILES |
[C@@]12([C@@]([C@](C(C)C)(CC[C@]2([C@@](O)(CC[C@@]1(C(=O)OC)[H])[H])C)[H])(OC(\C=C/C1=CC=CC=C1)=O)[H])[H] |
![1-Naphthalenecarboxylic acid, decahydro-4-hydroxy-4a-methyl-7-(1-methylethyl)-8-[(1-oxo-3-phenyl-2- propenyl)oxy]-, methyl ester, [1S-(1.alpha.,4.beta.,4a.alpha.,7.alpha.,8.alpha.,8a.beta.)]-](/api/spectrum/8d8HRO8OzbA/structure.png?h=300&w=458 "1-Naphthalenecarboxylic acid, decahydro-4-hydroxy-4a-methyl-7-(1-methylethyl)-8-[(1-oxo-3-phenyl-2- propenyl)oxy]-, methyl ester, [1S-(1.alpha.,4.beta.,4a.alpha.,7.alpha.,8.alpha.,8a.beta.)]-")
