Spektraris NMR
Siphonol B
Common Name: Siphonol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O12/c1-7-36(6)19-25(49-32(43)23-14-10-8-11-15-23)29-37(20-39)26(18-27(42)38(29,46)34(36)45)35(4,5)30(48-22(3)41)28(47-21(2)40)31(37)50-33(44)24-16-12-9-13-17-24/h7-17,25-31,39,42,46H,1,18-20H2,2-6H3/t25-,26+,27-,28+,29-,30-,31+,36+,37+,38+/m1/s1
InChIKey: InChIKey=XYELSYGEQPFQMP-OFUWLHILSA-N
Formula: C38H44O12
Molecular Weight: 692.750216
Exact Mass: 692.283277
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Tezuka, Y., Banskota, A.H., Adnyana, I.K., Kadota, S. Chem Pharm Bull (2003) 51, 268-75
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 69.3 |
| 2 (CH) | 67.3 |
| 3 (CH) | 75.7 |
| 4 (C) | 37.5 |
| 5 (CH) | 36.3 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 68.6 |
| 8 (C) | 76.6 |
| 9 (CH) | 44.6 |
| 10 (C) | 49.3 |
| 11 (CH) | 70.3 |
| 12 (CH2) | 37.3 |
| 13 (C) | 47.3 |
| 14 (C) | 215.3 |
| 15 (CH) | 142.5 |
| 16 (CH2) | 112.7 |
| 17 (CH3) | 29.2 |
| 18 (CH3) | 27.5 |
| 19 (CH3) | 21.9 |
| 20 (CH2) | 62.6 |
| 1a (C) | 165.2 |
| 1b (C) | 129.5 |
| 1c (CH) | 129.6 |
| 1d (CH) | 128 |
| 1e (CH) | 132.7 |
| 1f (CH) | 128 |
| 1g (CH) | 129.6 |
| 2a (C) | 170.8 |
| 2b (CH3) | 20.7 |
| 3a (C) | 170.6 |
| 3b (CH3) | 20.6 |
| 11a (C) | 165.9 |
| 11b (C) | 129.5 |
| 11c (CH) | 129.4 |
| 11d (CH) | 127.5 |
| 11e (CH) | 132.1 |
| 11f (CH) | 127.5 |
| 11g (CH) | 129.4 |
