| SpectraBase Spectrum ID |
6sq3yIpB1zx |
| Name |
13-Oxabicyclo[10.1.0]tridec-8-en-6-one, 4,12-dimethyl-7-(1-methylethenyl)-9-(1-methylethyl)-, (1R*,4R*,7R*,8Z,12R*)-(+)- |
| Alternate Name(s) |
(1R,4R,7R,12R)-7-isopropenyl-9-isopropyl-4,12-dimethyl-13-oxabicyclo[10.1.0]tridec-8-en-6-one
4(S*),5(S*)-epoxy-11-keto-1(S*),10(S*)-cubata-8(Z),18(20)-diene
Calyculone C |
| CAS Registry Number |
89163-39-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32O2 |
| InChI |
InChI=1S/C20H32O2/c1-13(2)16-9-10-20(6)19(22-20)8-7-15(5)11-18(21)17(12-16)14(3)4/h12-13,15,17,19H,3,7-11H2,1-2,4-6H3/b16-12+/t15-,17-,19-,20-/m1/s1 |
| InChIKey |
XCLKNXURBGEDOT-WKHVNEOISA-N |
| Molecular Weight |
304.474 g/mol |
| SMILES |
[C@]12(O[C@@]2(CC[C@](CC([C@](\C=C/(CC1)C(C)C)(C(=C)C)[H])=O)(C)[H])[H])C |
| SPLASH |
splash10-0006-9000000000-c491e0bae517a5900789 |
| Source of Spectrum |
J-49-1423-0 |
| Wiley ID |
1306886 |
![13-Oxabicyclo[10.1.0]tridec-8-en-6-one, 4,12-dimethyl-7-(1-methylethenyl)-9-(1-methylethyl)-, (1R*,4R*,7R*,8Z,12R*)-(+)-](/api/spectrum/6sq3yIpB1zx/structure.png?h=300&w=458 "13-Oxabicyclo[10.1.0]tridec-8-en-6-one, 4,12-dimethyl-7-(1-methylethenyl)-9-(1-methylethyl)-, (1R*,4R*,7R*,8Z,12R*)-(+)-")
