Spektraris NMR
Scutorienlalin B
Common Name: Scutorienlalin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-15(2)22(30)35-20-11-23(4,31)24(5,18-7-6-8-25(14-33-25)26(18,20)13-27)19(34-16(3)28)9-17-10-21(29)32-12-17/h10,15,18-20,27,31H,6-9,11-14H2,1-5H3/t18-,19+,20+,23+,24+,25+,26+/m1/s1
InChIKey: InChIKey=IEVOIZMETCMOBR-KCNFHIIESA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y. Phytochemistry (1996) 43, 173-8
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) | 23 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 32.5 |
| 4 (C) | 65.1 |
| 5 (C) | 46.1 |
| 6 (CH) | 71.2 |
| 7 (CH2) | 39.7 |
| 8 (C) | 76.1 |
| 9 (C) | 46.3 |
| 10 (CH) | 43 |
| 11 (CH) | 74.2 |
| 12 (CH2) | 33.2 |
| 13 (C) | 168.1 |
| 14 (CH) | 116.4 |
| 15 (C) | 175.8 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 26.4 |
| 18 (CH2) | 47.6 |
| 19 (CH2) | 61.1 |
| 20 (CH3) | 15.8 |
| 6a (C) | 173.9 |
| 6b (CH) | 34.2 |
| 6c (CH3) | 18.7 |
| 6ba (CH3) | 18.8 |
| 11a (C) | 170 |
| 11b (CH3) | 20.7 |
