Spektraris NMR
Scuterulein B
Common Name: Scuterulein B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O11/c1-18-13-14-23(40-19(2)34)26-30(18,5)27(41-20(3)35)28(42-21(4)36)32(7)31(26,6)24(15-33(44-32)16-25(37)39-17-33)43-29(38)22-11-9-8-10-12-22/h8-12,23-24,26-28H,1,13-17H2,2-7H3/t23-,24+,26+,27+,28+,30+,31-,32+,33-/m1/s1
InChIKey: InChIKey=SSMJCVGYZNGJRS-NQMFGKHJSA-N
Formula: C33H40O11
Molecular Weight: 612.665369
Exact Mass: 612.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Dominguez, R.M., Toscano, R.A. J Nat Prod (2001) 64, 778-82
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 71.7 |
| 2 (CH2) | 30 |
| 3 (CH2) | 27 |
| 4 (C) | 150.9 |
| 5 (C) | 44.7 |
| 6 (CH) | 72.5 |
| 7 (CH) | 74.1 |
| 8 (C) | 84 |
| 9 (C) | 44.1 |
| 10 (CH) | 46.4 |
| 11 (CH) | 74.6 |
| 12 (CH2) | 34.8 |
| 13 (C) | 77.8 |
| 14 (CH2) | 42.8 |
| 15 (C) | 174 |
| 16 (CH2) | 79.2 |
| 17 (CH3) | 20 |
| 18 (CH2) | 106.5 |
| 19 (CH3) | 18.7 |
| 20 (CH3) | 17.9 |
| 1a (C) | 170.8 |
| 1b (CH3) | 21.4 |
| 6a (C) | 170.1 |
| 6b (CH3) | 20.9 |
| 7a (C) | 169.9 |
| 7b (CH3) | 20.7 |
| 11a (C) | 167 |
| 11b (C) | 133.6 |
| 11c (CH) | 130 |
| 11d (CH) | 129 |
| 11e (CH) | 128.4 |
| 11f (CH) | 129 |
| 11g (CH) | 130 |
