Spektraris NMR
Syspirensin B pentaacetate
Common Name: Syspirensin B pentaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O10/c1-19-15-28(40-24(6)35)30(18-39-23(5)34)26(17-38-22(4)33)9-8-10-27(30)29(19,7)13-11-25(16-37-21(3)32)12-14-36-20(2)31/h12,19,26-28H,8-11,13-18H2,1-7H3/b25-12+/t19-,26+,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=ASMZJDMIWDPBPD-YDTBFKKQSA-N
Formula: C30H46O10
Molecular Weight: 566.681401
Exact Mass: 566.309098
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Calis, I., Bedir, E., Wright, A.D., Sticher, O. J Nat Prod (1996) 59, 457-60
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 |
| 2 (CH2) | 26.5 |
| 3 (CH2) | 27.2 |
| 4 (CH) | 51.6 |
| 5 (C) | 44.4 |
| 6 (CH) | 80.4 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 34.3 |
| 9 (C) | 38.3 |
| 10 (CH) | 49.8 |
| 11 (CH2) | 36.4 |
| 12 (CH2) | 27.9 |
| 13 (C) | 139.8 |
| 14 (CH) | 123 |
| 15 (CH2) | 60.3 |
| 16 (CH2) | 61.5 |
| 17 (CH3) | 15.3 |
| 18 (CH2) | 67.7 |
| 19 (CH2) | 62.3 |
| 20 (CH3) | 17.7 |
| 6a (C) | 171.4 |
| 6b (CH3) | 21.6 |
| 15a (C) | 171.3 |
| 15b (CH3) | 21.2 |
| 16a (C) | 170.8 |
| 16b (CH3) | 21 |
| 18a (C) | 170.6 |
| 18b (CH3) | 20.9 |
| 19a (C) | 170.2 |
| 19b (CH3) | 20.8 |
