Spektraris NMR
Spiromarienonols A
Common Name: Spiromarienonols A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17(14-19-15-18(2)24(33)35-19)20-8-10-29(7)25(34)30(13-12-27(20,29)5)23(32)16-21-26(3,4)22(31)9-11-28(21,30)6/h15,17,19-23,31-32H,8-14,16H2,1-7H3/t17-,19-,20-,21+,22-,23+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=NZURYNZEEHQZDZ-DQEPUXOOSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Wada, S.I., Aoki, H., Matsunaga, S., Yamori, T. Helv Chim Acta (2004) 87, 240-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Abeo-Lanostanes; 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 (CH2) | 30 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 75 |
| 4 (C) | 37.4 |
| 5 (CH) | 43.5 |
| 6 (CH2) | 34.4 |
| 7 (CH) | 80.2 |
| 8 (C) | 215.8 |
| 9 (C) | 64.4 |
| 10 (C) | 48.9 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 30.8 |
| 13 (C) | 47.4 |
| 14 (C) | 61.2 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 27 |
| 17 (CH) | 50.8 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 18.2 |
| 20 (CH) | 32.9 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 40.3 |
| 23 (CH) | 78.7 |
| 24 (CH) | 149.4 |
| 25 (C) | 129.7 |
| 26 (C) | 174.3 |
| 27 (CH3) | 10.7 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 19.7 |
