| SpectraBase Spectrum ID |
4PPx7wlMCiQ |
| Name |
(5aR,8aR,9aR,10aS,13bR,14bR,17bS,18bS)-4,4,8a,10a,14b,18b,22,22-octamethylperhydronaphtho[1,2-e]benzo[1,2-b:4,3-c']dioxepin-3-one |
| Appearance |
Needle-shaped crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O3 |
| InChI |
InChI=1S/C30H50O3/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)32-26(3,4)21(28)13-19-30(23,8)33-29/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23+,27-,28-,29+,30+/m0/s1 |
| InChIKey |
ATMVDEGAHBCKJL-KYSSMBTOSA-N |
| Instrument Name |
Hewlett-Packard HP 6890 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100415m |
| Molecular Weight |
458.727 g/mol |
| Optical Rotation |
[a]D22 = +56.4 (c = 1.3, CHCl3) |
| Reported Formula |
C30H50O3 |
| SMILES |
[C@@]12([C@](CCC(OC2(C)C)=O)([C@@]2([C@@](CC1)(O[C@]1([C@](CC2)([C@@]2([C@@](CC1)(C(CCC2)(C)C)[H])C)[H])C)C)[H])C)[H] |
| SPLASH |
splash10-05mo-9510000000-6d2ce316dd32c451071b |
| Source of Spectrum |
G4-74-565-3 |
| Synonyms |
Cupacinoxepin |
| Wiley ID |
1849063 |
