Spektraris NMR
Aralia-saponin VIII
Common Name: Aralia-saponin VIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C60H98O30/c1-55(2)13-14-60(54(80)90-51-44(78)41(75)36(70)27(19-63)83-51)24(15-55)23-7-8-31-56(3)11-10-33(57(4,22-66)30(56)9-12-58(31,5)59(23,6)16-32(60)67)86-53-48(89-50-43(77)40(74)35(69)26(18-62)82-50)47(38(72)29(21-65)85-53)88-52-45(79)46(37(71)28(20-64)84-52)87-49-42(76)39(73)34(68)25(17-61)81-49/h7,24-53,61-79H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31+,32+,33?,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-,47-,48+,49-,50-,51-,52-,53-,56-,57-,58+,59+,60+/m0/s1
InChIKey: InChIKey=ZDHYHPKLGQQGAP-SKGSEMOBSA-N
Formula: C60H98O30
Molecular Weight: 1299.404496
Exact Mass: 1298.614292
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Song S.J., Nakamura N., Ma C.M., Hattori M., Xu S.X. Phytochemistry (2001) 56, 491-7
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) | 38.7 |
| 2 (CH2) | 25.9 |
| 3 (CH) | 2.9 |
| 4 (C) | 43.4 |
| 5 (C) | 47.2 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 33.1 |
| 8 (C) | 40 |
| 9 (CH) | 47.9 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.6 |
| 13 (C) | 144.4 |
| 14 (C) | 41.9 |
| 15 (CH2) | 36.1 |
| 16 (CH) | 74.1 |
| 17 (C) | 48.9 |
| 18 (CH) | 41.2 |
| 19 (CH2) | 47.2 |
| 20 (C) | 30.7 |
| 21 (CH2) | 35.9 |
| 22 (CH2) | 32.2 |
| 23 (CH2) | 64.7 |
| 24 (CH3) | 13.3 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 27.1 |
| 28 (C) | 175.9 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 24.5 |
| 1' (CH) | 103.7 |
| 2' (CH) | 79.1 |
| 3' (CH) | 88.6 |
| 4' (CH) | 70.9 |
| 5' (CH) | 77.5 |
| 6' (CH2) | 62.3 |
| 1'' (CH) | 103.5 |
| 2'' (CH) | 76.2 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 62.3 |
| 1''' (CH) | 103.9 |
| 2''' (CH) | 74.1 |
| 3''' (CH) | 87.6 |
| 4''' (CH) | 69.8 |
| 5''' (CH) | 77.6 |
| 6''' (CH2) | 62.1 |
| 1'''' (CH) | 105.1 |
| 2'''' (CH) | 75.1 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 69.8 |
| 5'''' (CH) | 77.9 |
| 6'''' (CH2) | 61.9 |
| 1''''' (CH) | 95.8 |
| 2''''' (CH) | 74.1 |
| 3''''' (CH) | 78.8 |
| 4''''' (CH) | 72 |
| 5''''' (CH) | 79.3 |
| 6''''' (CH2) | 63 |
