Spektraris NMR
Orthosiphol L
Common Name: Orthosiphol L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O12/c1-8-36(6)30(42)26(49-32(43)22-15-11-9-12-16-22)28-37(7)24(19-25(47-20(2)39)38(28,46)34(36)45)35(4,5)29(41)27(48-21(3)40)31(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-/m0/s1
InChIKey: InChIKey=DACRLLRYBIUMQB-YACFWHGXSA-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. J Nat Prod (2001) 64, 592-6
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) | 73.8 |
| 2 (CH) | 68 |
| 3 (CH) | 77.2 |
| 4 (C) | 38.3 |
| 5 (CH) | 35.6 |
| 6 (CH2) | 21.2 |
| 7 (CH) | 70.9 |
| 8 (C) | 74.6 |
| 9 (CH) | 42.7 |
| 10 (C) | 43.6 |
| 11 (CH) | 72.7 |
| 12 (CH) | 76 |
| 13 (C) | 53.8 |
| 14 (C) | 205.4 |
| 15 (CH) | 114.4 |
| 16 (CH2) | 138.7 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 28.9 |
| 19 (CH3) | 22 |
| 20 (CH3) | 17 |
| 1a (C) | 164.2 |
| 1b (C) | 130 |
| 1c (CH) | 129.9 |
| 1d (CH) | 128.1 |
| 1e (CH) | 132.9 |
| 1f (CH) | 128.1 |
| 1g (CH) | 129.9 |
| 2a (C) | 170.4 |
| 2b (CH3) | 20.9 |
| 7a (C) | 168.6 |
| 7b (CH3) | 21 |
| 11a (C) | 166.8 |
| 11b (C) | 129.8 |
| 11c (CH) | 129.5 |
| 11d (CH) | 127.9 |
| 11e (CH) | 132.7 |
| 11f (CH) | 127.9 |
| 11g (CH) | 129.5 |
