Spektraris NMR
Pentaacetyl-14-O-nicotinoyl-17-hydroxymyrsinol
Common Name: Pentaacetyl-14-O-nicotinoyl-17-hydroxymyrsinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H41NO12/c1-16(2)23-11-12-24(42-18(4)36)34-27(23)32(8,47-31(34)41)30(45-29(40)22-10-9-13-35-15-22)33(46-21(7)39)14-17(3)26(43-19(5)37)25(33)28(34)44-20(6)38/h9-13,15,17,23-28,30-31,41H,1,14H2,2-8H3/t17-,23+,24+,25+,26-,27-,28+,30-,31?,32+,33+,34-/m0/s1
InChIKey: InChIKey=CMYPLADRRYMQLC-KYGUSLADSA-N
Formula: C34H41N1O12
Molecular Weight: 655.690194
Exact Mass: 655.262876
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad, V.U., Jassbi, A.R. J Nat Prod (1999) 62, 1016-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Myrsinanes; 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) | 43.9 |
| 2 (CH) | 36.9 |
| 3 (CH) | 76.4 |
| 4 (CH) | 52 |
| 5 (CH) | 69.4 |
| 6 (C) | 56.6 |
| 7 (CH) | 63.3 |
| 8 (CH) | 123.2 |
| 9 (CH) | 133.6 |
| 10 (C) | 147.4 |
| 11 (CH) | 43.8 |
| 12 (CH) | 37.2 |
| 13 (C) | 89.6 |
| 14 (CH) | 81.6 |
| 15 (C) | 91 |
| 16 (CH3) | 14.2 |
| 17 (CH) | 97.8 |
| 18 (CH2) | 114.1 |
| 19 (CH3) | 18.8 |
| 20 (CH3) | 24.9 |
| 3a (C) | 170.7 |
| 3b (CH3) | 22.5 |
| 5a (C) | 170 |
| 5b (CH3) | 21.3 |
| 7a (C) | 169.5 |
| 7b (CH3) | 21.2 |
| 14a (C) | 163.8 |
| 14b (C) | 126.1 |
| 14c (CH) | 151.1 |
| 14d (CH) | 153.7 |
| 14e (CH) | 123.6 |
| 14f (CH) | 138.2 |
| 15a (C) | 168.9 |
| 15b (CH3) | 21 |
