Spektraris NMR
3,4-Seco-olean-11,13-dien-4,7b,22b,24-tetraol-3-oic acid
Common Name: 3,4-Seco-olean-11,13-dien-4,7b,22b,24-tetraol-3-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)15-19-18-8-9-20-27(4,11-10-24(34)35)21(29(6,36)17-31)14-22(32)30(20,7)28(18,5)13-12-26(19,3)23(33)16-25/h8-9,20-23,31-33,36H,10-17H2,1-7H3,(H,34,35)/t20-,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=QWLDZOYHUJRXDX-BHDNYBGLSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
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 |
| 2 (CH2) | 30 |
| 3 (C) | 175.4 |
| 4 (C) | 76.1 |
| 5 (CH) | 46.3 |
| 6 (CH2) | 32.1 |
| 7 (CH) | 70.9 |
| 8 (C) | 45.8 |
| 9 (CH) | 45.4 |
| 10 (C) | 39.8 |
| 11 (CH) | 127 |
| 12 (CH) | 125.5 |
| 13 (C) | 135.4 |
| 14 (C) | 43.9 |
| 15 (CH2) | 28 |
| 16 (CH2) | 33.8 |
| 17 (C) | 40.2 |
| 18 (C) | 138 |
| 19 (CH2) | 37.7 |
| 20 (C) | 32.5 |
| 21 (CH2) | 44.4 |
| 22 (CH) | 76.1 |
| 23 (CH3) | 28 |
| 24 (CH2) | 68.5 |
| 25 (CH3) | 22.3 |
| 26 (CH3) | 11.8 |
| 27 (CH3) | 20.9 |
| 28 (CH3) | 18.7 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 32.9 |
