Spektraris NMR
Staminol C
Common Name: Staminol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O12/c1-8-24-28(49-32(42)22-15-11-9-12-16-22)29-36(6)25(19-26(47-20(2)39)38(29,46)34(44)37(24,7)45)35(4,5)30(27(41)31(36)48-21(3)40)50-33(43)23-17-13-10-14-18-23/h8-18,24-31,41,45-46H,1,19H2,2-7H3/t24-,25-,26+,27-,28+,29+,30+,31-,36-,37-,38-/m0/s1
InChIKey: InChIKey=UIOAMSFHGBMZTF-MYFRPNQSSA-N
Formula: C38H44O12
Molecular Weight: 692.750216
Exact Mass: 692.283277
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nguyen, M.T., Awale, S., Tezuka, Y., Chien-Hsiung, C., Kadota, S. J Nat Prod (2004) 67, 654-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Staminanes; 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) | 79.1 |
| 2 (CH) | 66.8 |
| 3 (CH) | 80.3 |
| 4 (C) | 37.9 |
| 5 (CH) | 37.3 |
| 6 (CH2) | 21.7 |
| 7 (CH) | 71.7 |
| 8 (C) | 78 |
| 9 (CH) | 42.6 |
| 10 (C) | 45.2 |
| 11 (CH) | 70.9 |
| 12 (CH) | 52.8 |
| 13 (C) | 76.9 |
| 14 (C) | 202.4 |
| 15 (CH) | 134.4 |
| 16 (CH2) | 123.2 |
| 17 (CH3) | 30.5 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 28.8 |
| 20 (CH3) | 16.8 |
| 1a (C) | 169.2 |
| 1b (CH3) | 21.8 |
| 3a (C) | 168.4 |
| 3b (C) | 130.6 |
| 3c (CH) | 130.7 |
| 3d (CH) | 129.1 |
| 3e (CH) | 134 |
| 3f (CH) | 129.1 |
| 3g (CH) | 130.7 |
| 7a (C) | 171.4 |
| 7b (CH3) | 21.2 |
| 11a (C) | 167 |
| 11b (C) | 130.3 |
| 11c (CH) | 130.4 |
| 11d (CH) | 129.1 |
| 11e (CH) | 134 |
| 11f (CH) | 129.1 |
| 11g (CH) | 130.4 |
