Spektraris NMR
Sanguidioside D
Common Name: Sanguidioside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C72H110O24/c1-61(2)20-24-70(59(90)95-55-49(82)47(80)45(78)37(30-73)92-55)26-22-65(7)33(43(70)52(61)85)12-14-39-63(5)28-35(76)51(84)69(11,41(63)16-18-67(39,65)9)58(89)94-54-36(77)29-64(6)40-15-13-34-44-53(86)62(3,4)21-25-71(44,60(91)96-56-50(83)48(81)46(79)38(31-74)93-56)27-23-66(34,8)68(40,10)19-17-42(64)72(54,32-75)57(87)88/h12-13,35-56,73-86H,14-32H2,1-11H3,(H,87,88)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44?,45-,46-,47+,48+,49-,50-,51+,52+,53+,54-,55+,56+,63-,64-,65-,66-,67-,68-,69+,70+,71+,72-/m1/s1
InChIKey: InChIKey=UTEXWEUUFHKJCY-AFBGNQKGSA-N
Formula: C72H110O24
Molecular Weight: 1359.632186
Exact Mass: 1358.738704
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, X., Shi, B.F., Yu, B. Tetrahedron (2004) 60, 11647-54
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 48 |
| 2 (CH) | 68.1 |
| 3 (CH) | 82.6 |
| 4 (C) | 56.2 |
| 5 (C) | 51.6 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 33 |
| 8 (C) | 40.6 |
| 9 (CH) | 48.9 |
| 10 (C) | 38.5 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 124.2 |
| 13 (C) | 144.2 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 28.1 |
| 17 (C) | 46.6 |
| 18 (CH) | 44.7 |
| 19 (CH) | 81.2 |
| 20 (C) | 36.7 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 33.2 |
| 23 (C) | 177.7 |
| 24 (CH3) | 12.7 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 25.2 |
| 28 (C) | 177.5 |
| 29 (CH3) | 29 |
| 30 (CH3) | 24.8 |
| 1' (CH2) | 44.4 |
| 2' (CH) | 66 |
| 3' (CH) | 74.3 |
| 4' (C) | 54.8 |
| 5' (C) | 47.6 |
| 6' (CH2) | 21.1 |
| 7' (CH2) | 33.7 |
| 8' (C) | 40.3 |
| 9' (CH) | 48.2 |
| 10' (C) | 39.5 |
| 11' (CH2) | 24.5 |
| 12' (CH) | 124.2 |
| 13' (C) | 144.7 |
| 14' (C) | 42.5 |
| 15' (CH2) | 29.3 |
| 16' (CH2) | 28.3 |
| 17' (C) | 46.8 |
| 18' (CH) | 45.1 |
| 19' (CH) | 81.4 |
| 20' (C) | 36.7 |
| 21' (CH2) | 29.3 |
| 22' (CH2) | 33.2 |
| 23' (CH2) | 67.3 |
| 24' (C) | 178.4 |
| 25' (CH3) | 15 |
| 26' (CH3) | 17.7 |
| 27' (CH3) | 24.7 |
| 28' (C) | 177.5 |
| 29' (CH3) | 29 |
| 30' (CH3) | 25 |
| 28a (CH) | 96.1 |
| 28b (CH) | 74.4 |
| 28c (CH) | 79.1 |
| 28d (CH) | 71.2 |
| 28e (CH) | 79.6 |
| 28f (CH2) | 62.3 |
| 28'a (CH) | 96.1 |
| 28'b (CH) | 74.4 |
| 28'c (CH) | 79.1 |
| 28'd (CH) | 71.2 |
| 28'e (CH) | 79.6 |
| 28'f (CH2) | 62.3 |
