Spektraris NMR
6-Hydroxyorthosiphol B
Common Name: 6-Hydroxyorthosiphol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O12/c1-8-36(6)19-24(49-32(43)22-15-11-9-12-16-22)27-37(7)28(25(41)31(48-21(3)40)38(27,46)34(36)45)35(4,5)29(47-20(2)39)26(42)30(37)50-33(44)23-17-13-10-14-18-23/h8-18,24-31,41-42,46H,1,19H2,2-7H3/t24-,25+,26+,27-,28+,29-,30+,31-,36+,37-,38-/m1/s1
InChIKey: InChIKey=CYRMZKDAMYRFBO-UAQNBVKUSA-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) | 79.3 |
| 2 (CH) | 65.8 |
| 3 (CH) | 79.2 |
| 4 (C) | 37.9 |
| 5 (CH) | 39.9 |
| 6 (CH) | 69.4 |
| 7 (CH) | 70.3 |
| 8 (C) | 77.2 |
| 9 (CH) | 42 |
| 10 (C) | 43 |
| 11 (CH) | 68.9 |
| 12 (CH2) | 39.5 |
| 13 (C) | 47.8 |
| 14 (C) | 205.7 |
| 15 (CH) | 142 |
| 16 (CH2) | 113.5 |
| 17 (CH3) | 26.3 |
| 18 (CH3) | 28 |
| 19 (CH3) | 24.9 |
| 20 (CH3) | 19.1 |
| 1a (C) | 167.4 |
| 1b (C) | 130.2 |
| 1c (CH) | 129.9 |
| 1d (CH) | 128.1 |
| 1e (CH) | 133.5 |
| 1f (CH) | 128.1 |
| 1g (CH) | 129.9 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.4 |
| 7a (C) | 168.5 |
| 7b (CH3) | 20.9 |
| 11a (C) | 166 |
| 11b (C) | 129.9 |
| 11c (CH) | 129.6 |
| 11d (CH) | 128.1 |
| 11e (CH) | 132.7 |
| 11f (CH) | 128.1 |
| 11g (CH) | 129.6 |
