Spektraris NMR
3b,16a-Dihydroxyolean-13(18)-en-23-on-28-oic acid
Common Name: 3b,16a-Dihydroxyolean-13(18)-en-23-on-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h17,20-23,32-33H,7-16H2,1-6H3,(H,34,35)/t20-,21-,22+,23-,26+,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=LJZLNNBSDVITPC-JRRQPGKXSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Chang I. S., Han Y. B. , Woo W. S., Kang S. S., Lotter H., Wagner H. Planta Med (1989) 55, 544
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) | 38.4 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 70.9 |
| 4 (C) | 55.4 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 33.7 |
| 8 (C) | 44.3 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.2 |
| 11 (CH2) | 22 |
| 12 (CH2) | 25.1 |
| 13 (C) | 126.1 |
| 14 (C) | 42.2 |
| 15 (CH2) | 35.9 |
| 16 (CH) | 69.3 |
| 17 (C) | 52.8 |
| 18 (C) | 135.6 |
| 19 (CH2) | 41.5 |
| 20 (C) | 32.5 |
| 21 (CH2) | 35.5 |
| 22 (CH2) | 27 |
| 23 (CH) | 206.8 |
| 24 (CH3) | 8.8 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 24.6 |
| 28 (C) | 177.3 |
| 29 (CH3) | 33 |
| 30 (CH3) | 24.6 |
