Spektraris NMR
(13S,19R)-6α,7β,15,16-Tetraacetoxy-4α,18-epoxyneoclerodane-19,2α-(19-O-tigloyl)hemiacetal
Common Name: (13S,19R)-6α,7β,15,16-Tetraacetoxy-4α,18-epoxyneoclerodane-19,2α-(19-O-tigloyl)hemiacetal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H48O12/c1-9-18(2)29(38)45-30-33-26(14-25(44-30)15-32(33)17-41-32)31(8,19(3)27(42-22(6)36)28(33)43-23(7)37)12-10-24(16-40-21(5)35)11-13-39-20(4)34/h9,19,24-28,30H,10-17H2,1-8H3/b18-9+/t19-,24?,25+,26-,27-,28+,30-,31+,32+,33+/m1/s1
InChIKey: InChIKey=CBLPERINBLWZOS-XZWBUESRSA-N
Formula: C33H48O12
Molecular Weight: 636.7283
Exact Mass: 636.314577
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., de la Torre, M.C., Simmonds, M.S., Blaney, W.M. J Nat Prod (1999) 62, 594-600
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) | 30.5 |
| 2 (CH) | 66.8 |
| 3 (CH2) | 36.8 |
| 4 (C) | 60.5 |
| 5 (C) | 41.9 |
| 6 (CH) | 69.9 |
| 7 (CH) | 72.9 |
| 8 (CH) | 40 |
| 9 (C) | 39.6 |
| 10 (CH) | 40.3 |
| 11 (CH2) | 34.5 |
| 12 (CH2) | 24 |
| 13 (CH) | 34.8 |
| 14 (CH2) | 26.6 |
| 15 (CH2) | 62 |
| 16 (CH2) | 66.1 |
| 17 (CH3) | 10.4 |
| 18 (CH2) | 49.7 |
| 19 (CH) | 91.5 |
| 20 (CH3) | 17.9 |
| 6a (C) | 170.7 |
| 6b (CH3) | 20.4 |
| 7a (C) | 170.7 |
| 7b (CH3) | 20.4 |
| 15a (C) | 169.7 |
| 15b (CH3) | 20.7 |
| 16a (C) | 169.5 |
| 16b (CH3) | 20.7 |
| 19a (C) | 165.6 |
| 19b (C) | 128.7 |
| 19c (CH) | 138.2 |
| 19d (CH3) | 14.3 |
| 19ba (CH3) | 11.7 |
