| SpectraBase Spectrum ID |
JD2cyKQ9mbr |
| Name |
Cyclonona[4,5]pyrano[2,3-b]oxepin-7-ol, 4,5a,7,7a,8,9,10,13,14,14a-decahydro-4,4,12-trimethyl-8-methylene-, [5aR-(5aR*,7S*,7aR*,11E,14aS*)]- |
| CAS Registry Number |
88586-18-9 |
| Comments |
Removed - expert review: contamination (chloroform)) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-13-7-5-8-14(2)17-15(11-10-13)16-9-6-12-20(3,4)23-19(16)22-18(17)21/h6-7,9,12,15,17-19,21H,2,5,8,10-11H2,1,3-4H3/b13-7-/t15-,17+,18+,19+/m1/s1 |
| InChIKey |
AZNWMLNRLJCFPZ-LBHQFXJISA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
O[C@]1(O[C@@]2(C([C@@]3([C@@]1(C(=C)CC\C=C/(CC3)C)[H])[H])=CC=CC(O2)(C)C)[H])[H] |
| SPLASH |
splash10-001r-9000000000-c89fd4707cc4a6652c62 |
| Source of Spectrum |
F-39-3394-0 |
| Synonyms |
(5aR,7S,7aR,14aS)-4,4,12-trimethyl-8-methylene-4,5a,7,7a,8,9,10,13,14,14a-decahydrocyclonona[4,5]pyrano[2,3-b]oxepin-7-ol
Xenialactol-D |
| Wiley ID |
1317073 |
![Cyclonona[4,5]pyrano[2,3-b]oxepin-7-ol, 4,5a,7,7a,8,9,10,13,14,14a-decahydro-4,4,12-trimethyl-8-methylene-, [5aR-(5aR*,7S*,7aR*,11E,14aS*)]-](/api/spectrum/JD2cyKQ9mbr/structure.png?h=300&w=458 "Cyclonona[4,5]pyrano[2,3-b]oxepin-7-ol, 4,5a,7,7a,8,9,10,13,14,14a-decahydro-4,4,12-trimethyl-8-methylene-, [5aR-(5aR*,7S*,7aR*,11E,14aS*)]-")
