Spektraris NMR
3,4-Seco-olean-13-en-4,7,15,22,24-pentaol-3-oic acid
Common Name: 3,4-Seco-olean-13-en-4,7,15,22,24-pentaol-3-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O7/c1-25(2)13-18-17-8-9-19-26(3,11-10-24(35)36)20(28(5,37)16-31)12-21(32)30(19,7)29(17,6)23(34)15-27(18,4)22(33)14-25/h8,18-23,31-34,37H,9-16H2,1-7H3,(H,35,36)/t18-,19-,20-,21-,22+,23+,26-,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=GSRSMHXDLUQDJM-VZHYPIKMSA-N
Formula: C30H50O7
Molecular Weight: 522.714949
Exact Mass: 522.355654
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Li, L., Sattler, I., Deng, Z., Groth, I., Walther, G., Klaus-Dieter, M., Peschel, G., Grabley, S., Lin, W. Phytochemistry (2008) 69, 511-7
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) | 35.3 |
| 2 (CH2) | 30 |
| 3 (C) | 176.6 |
| 4 (C) | 77.1 |
| 5 (CH) | 41.6 |
| 6 (CH2) | 29.9 |
| 7 (CH) | 74.3 |
| 8 (C) | 44.1 |
| 9 (CH) | 35.8 |
| 10 (C) | 41 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 123.3 |
| 13 (C) | 149.5 |
| 14 (C) | 49.5 |
| 15 (CH) | 66.9 |
| 16 (CH2) | 38.3 |
| 17 (C) | 38.4 |
| 18 (CH) | 44.3 |
| 19 (CH2) | 47.8 |
| 20 (C) | 31.3 |
| 21 (CH2) | 42.1 |
| 22 (CH) | 74.8 |
| 23 (CH3) | 27.9 |
| 24 (CH2) | 68.2 |
| 25 (CH3) | 20.7 |
| 26 (CH3) | 20 |
| 27 (CH3) | 25.1 |
| 28 (CH3) | 22.4 |
| 29 (CH3) | 29.2 |
| 30 (CH3) | 34.2 |
