Spektraris NMR
Scutorientalin E
Common Name: Scutorientalin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O10/c1-21(34)40-20-33-25(11-8-15-32(33)19-41-32)30(3,16-14-24-17-27(37)39-18-24)31(4,38)28(42-22(2)35)29(33)43-26(36)13-12-23-9-6-5-7-10-23/h5-7,9-10,12-13,17,25,28-29,38H,8,11,14-16,18-20H2,1-4H3/b13-12+/t25-,28+,29+,30-,31+,32+,33+/m1/s1
InChIKey: InChIKey=VAWWCFLTZOOIBS-JUZWJBHJSA-N
Formula: C33H40O10
Molecular Weight: 596.665964
Exact Mass: 596.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Bozov, P.I., Papanov, G.Y. Phytochemistry (1997) 46, 587-9
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 (CH2) | 21.3 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 32.3 |
| 4 (C) | 65.1 |
| 5 (C) | 45.9 |
| 6 (CH) | 70.5 |
| 7 (CH) | 74.9 |
| 8 (C) | 78.6 |
| 9 (C) | 42.5 |
| 10 (CH) | 42.8 |
| 11 (CH2) | 34.9 |
| 12 (CH2) | 25.1 |
| 13 (C) | 171.3 |
| 14 (CH) | 114.5 |
| 15 (C) | 174.1 |
| 16 (CH2) | 73.2 |
| 17 (CH3) | 21.6 |
| 18 (CH2) | 49.8 |
| 19 (CH2) | 62.2 |
| 20 (CH3) | 20.5 |
| 6a (C) | 165.5 |
| 6b (CH) | 117.5 |
| 6c (CH) | 146 |
| 6d (C) | 134.3 |
| 6e (CH) | 128.3 |
| 6f (CH) | 128.9 |
| 6g (CH) | 130.4 |
| 6h (CH) | 128.9 |
| 6i (CH) | 128.3 |
| 7a (C) | 170.8 |
| 7b (CH3) | 20.6 |
| 19a (C) | 169.9 |
| 19b (CH3) | 21.2 |
