Spektraris NMR
Sanguidioside C
Common Name: Sanguidioside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C72H110O23/c1-33-17-22-72(60(89)95-56-50(82)48(80)46(78)39(32-74)92-56)28-25-65(7)35(51(72)70(33,12)90)14-16-41-63(5)30-37(76)54(69(11,57(85)86)43(63)19-21-67(41,65)9)93-58(87)68(10)42-18-20-66(8)40(62(42,4)29-36(75)52(68)83)15-13-34-44-53(84)61(2,3)23-26-71(44,27-24-64(34,66)6)59(88)94-55-49(81)47(79)45(77)38(31-73)91-55/h13-14,33,36-56,73-84,90H,15-32H2,1-12H3,(H,85,86)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51?,52+,53+,54-,55+,56+,62-,63-,64-,65-,66-,67-,68+,69-,70-,71+,72+/m1/s1
InChIKey: InChIKey=XLTFPAXTXISVSV-ZVNGUPPBSA-N
Formula: C72H110O23
Molecular Weight: 1343.632781
Exact Mass: 1342.74379
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 : Ursanes; 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) | 68.2 |
| 3 (CH) | 82.4 |
| 4 (C) | 55.9 |
| 5 (C) | 51.5 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 33 |
| 8 (C) | 40.6 |
| 9 (CH) | 48.9 |
| 10 (C) | 38.4 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 123.6 |
| 13 (C) | 144.5 |
| 14 (C) | 42.2 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 28 |
| 17 (C) | 46.4 |
| 18 (CH) | 44.5 |
| 19 (CH) | 81.1 |
| 20 (C) | 35.6 |
| 21 (CH2) | 29 |
| 22 (CH2) | 33.1 |
| 23 (C) | 177.7 |
| 24 (CH3) | 12.5 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 25.2 |
| 28 (C) | 177.3 |
| 29 (CH3) | 28.9 |
| 30 (CH3) | 24.9 |
| 1' (CH2) | 45 |
| 2' (CH) | 65.6 |
| 3' (CH) | 78.2 |
| 4' (C) | 48.7 |
| 5' (C) | 51.1 |
| 6' (CH2) | 20.7 |
| 7' (CH2) | 34.3 |
| 8' (C) | 40.9 |
| 9' (CH) | 47.5 |
| 10' (C) | 39.3 |
| 11' (CH2) | 24.4 |
| 12' (CH) | 128.7 |
| 13' (C) | 139.4 |
| 14' (C) | 42.3 |
| 15' (CH2) | 29.4 |
| 16' (CH2) | 26.3 |
| 17' (C) | 48.8 |
| 18' (CH) | 54.6 |
| 19' (C) | 72.9 |
| 20' (CH) | 42.3 |
| 21' (CH2) | 26.8 |
| 22' (CH2) | 37.9 |
| 23' (CH3) | 24.7 |
| 24' (C) | 179.2 |
| 25' (CH3) | 15 |
| 26' (CH3) | 17.6 |
| 27' (CH3) | 24.5 |
| 28' (C) | 177.1 |
| 29' (CH3) | 27.4 |
| 30' (CH3) | 16.9 |
| 28a (CH) | 96 |
| 28b (CH) | 74.3 |
| 28c (CH) | 79.1 |
| 28d (CH) | 71.1 |
| 28e (CH) | 79.5 |
| 28f (CH2) | 62.2 |
| 28'a (CH) | 96 |
| 28'b (CH) | 74.2 |
| 28'c (CH) | 79.1 |
| 28'd (CH) | 71.3 |
| 28'e (CH) | 79.5 |
| 28'f (CH2) | 62.3 |
