| SpectraBase Spectrum ID |
HkmcacwULgi |
| Name |
[(-)-(2S,3S,6S,9R)-2-bromo-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-7-ene-3,9-diol] |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H23BrO2 |
| InChI |
InChI=1S/C15H23BrO2/c1-10-9-11(17)12(16)13(2,3)15(10)7-5-14(4,18)6-8-15/h5,7,11-12,17-18H,1,6,8-9H2,2-4H3/t11-,12+,14-,15+/m0/s1 |
| InChIKey |
RLCBOPJHZRVMGC-MYZSUADSSA-N |
| Instrument Name |
Shimadzu GCMS QP 1100-EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0102307 |
| Molecular Weight |
315.251 g/mol |
| Optical Rotation |
[a]D25 = -11.5 (c = 0.32, CH2Cl2) |
| SMILES |
O[C@@]1([C@](C([C@]2(CC[C@](C=C2)(O)C)C(C1)=C)(C)C)(Br)[H])[H] |
| SPLASH |
splash10-014j-0951000000-fb16427cceb6158c31a1 |
| Source of Spectrum |
G4-64-1554-2 |
| Synonyms |
Isorigidol |
| Wiley ID |
1882956 |
![[(-)-(2S,3S,6S,9R)-2-bromo-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-7-ene-3,9-diol]](/api/spectrum/HkmcacwULgi/structure.png?h=300&w=458 "[(-)-(2S,3S,6S,9R)-2-bromo-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-7-ene-3,9-diol]")
