Spektraris NMR
7-Oxomogroside V
Common Name: 7-Oxomogroside V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C60H100O30/c1-22(9-11-34(57(4,5)80)89-55-49(90-54-48(79)42(73)37(68)29(19-63)85-54)44(75)39(70)31(87-55)21-82-52-46(77)41(72)36(67)28(18-62)84-52)23-13-14-58(6)50-26(64)15-25-24(60(50,8)32(65)16-59(23,58)7)10-12-33(56(25,2)3)88-53-47(78)43(74)38(69)30(86-53)20-81-51-45(76)40(71)35(66)27(17-61)83-51/h15,22-24,27-55,61-63,65-80H,9-14,16-21H2,1-8H3/t22-,23-,24-,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+,54+,55+,58+,59-,60-/m1/s1
InChIKey: InChIKey=KKPUJPQFRHRSKB-KFRDNEJOSA-N
Formula: C60H100O30
Molecular Weight: 1301.420377
Exact Mass: 1300.629942
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Hayakawa, Y., Tokuda, H., Banno, N., Shimizu, N., Suzuki, T., Kimura, Y. J Nat Prod (2007) 70, 783-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 27.1 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 87.3 |
| 4 (C) | 43.8 |
| 5 (C) | 170.8 |
| 6 (CH) | 125.2 |
| 7 (C) | 201.2 |
| 8 (CH) | 60.1 |
| 9 (C) | 40.8 |
| 10 (CH) | 39.2 |
| 11 (CH) | 76.9 |
| 12 (CH2) | 40.8 |
| 13 (C) | 47.2 |
| 14 (C) | 48.7 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 28.6 |
| 17 (CH) | 50.9 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 26.6 |
| 20 (CH) | 36.8 |
| 21 (CH3) | 19 |
| 22 (CH2) | 33.3 |
| 23 (CH2) | 29.8 |
| 24 (CH) | 92.2 |
| 25 (C) | 72.6 |
| 26 (CH3) | 24.5 |
| 27 (CH3) | 27.1 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 25.5 |
| 30 (CH3) | 19.7 |
| 1' (CH) | 106.8 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78 |
| 6' (CH2) | 70.4 |
| 1'' (CH) | 105.5 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 62.8 |
| 1''' (CH) | 103.7 |
| 2''' (CH) | 82.5 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 77.4 |
| 6''' (CH2) | 70.2 |
| 1'''' (CH) | 104.9 |
| 2'''' (CH) | 75.3 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 71.8 |
| 5'''' (CH) | 78.4 |
| 6'''' (CH2) | 63.6 |
| 1''''' (CH) | 105.7 |
| 2''''' (CH) | 76.4 |
| 3''''' (CH) | 78.3 |
| 4''''' (CH) | 72.7 |
| 5''''' (CH) | 78.5 |
| 6''''' (CH2) | 62.6 |
