| SpectraBase Spectrum ID |
29RPtGZNRB4 |
| Name |
(E,6R)-2,3,6-trimethyl-9-[(2S,3S,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one |
| Alternate Name(s) |
(E,6R)-9-[(2S,3S,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,3,6-trimethyl-3-nonen-5-one
(E,6R)-9-[(2S,3S,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,3,6-trimethyl-non-3-en-5-one
3-Nonen-5-one, 9-(3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl)-2,3,6-trimethyl-, (2S-(2alpha(3E,6S*),3beta,6E))-
Montanol |
| CAS Registry Number |
71117-50-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,13,15-16,20,22,24H,6-9,11-12,14H2,1-5H3/b17-13+,18-10+/t16-,20+,21+/m1/s1 |
| InChIKey |
CFWFJIRDZVFKJB-MHDPUIGJSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
OC\C=C\1CO[C@]([C@](CC1)(O)[H])(CCC[C@](C(\C=C\(C(C)C)C)=O)(C)[H])C |
| SPLASH |
splash10-03di-6900000000-164b4f0ce4a2bcfd6f7e |
| Source of Spectrum |
0-16-281-2 |
| Wiley ID |
1343507 |
![(E,6R)-2,3,6-trimethyl-9-[(2S,3S,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one](/api/spectrum/29RPtGZNRB4/structure.png?h=300&w=458 "(E,6R)-2,3,6-trimethyl-9-[(2S,3S,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one")
