Spektraris NMR
(+)-(1R*,3S*,5R*,6S*)-Saccogynol
Common Name: (+)-(1R*,3S*,5R*,6S*)-Saccogynol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-9(2)12-7-5-6-10(3)13-8-14(16)11(4)15(12)13/h12-16H,1,3-8H2,2H3/t12-,13+,14+,15-/m1/s1
InChIKey: InChIKey=UHZRZWLFFTUUFB-CBBWQLFWSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Hackl, T., Konig, W.A., Muhle, H. Phytochemistry (2004) 65, 2261-75
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Zieranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 46.9 |
| 2 (CH2) | 39.7 |
| 3 (CH) | 74 |
| 4 (C) | 156.7 |
| 5 (CH) | 49.9 |
| 6 (CH) | 48.7 |
| 7 (CH2) | 34.8 |
| 8 (CH2) | 30.3 |
| 9 (CH2) | 36.9 |
| 10 (C) | 151.9 |
| 11 (C) | 150.6 |
| 12 (CH2) | 110.7 |
| 13 (CH3) | 20.6 |
| 14 (CH2) | 111.9 |
| 15 (CH2) | 109.2 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.