Spektraris NMR
16-Oxo-3α,21β-dihydroxyserrat-14-en-24-oic acid
Common Name: 16-Oxo-3α,21β-dihydroxyserrat-14-en-24-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-26(2)22(32)10-13-28(4)18-7-8-20-27(3,16-17(18)15-19(31)24(26)28)12-9-21-29(20,5)14-11-23(33)30(21,6)25(34)35/h15,18,20-24,32-33H,7-14,16H2,1-6H3,(H,34,35)/t18-,20-,21+,22+,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=PZUQEBIOBVCCSP-LPBYFKGCSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, H., Tan, C.H., Jiang, S.H., Zhu, D.Y. J Nat Prod (2003) 66, 1328-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 34.8 |
| 2 (CH2) | 28 |
| 3 (CH) | 70.6 |
| 4 (C) | 48.6 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 45.6 |
| 8 (C) | 38.3 |
| 9 (CH) | 62.4 |
| 10 (C) | 39.4 |
| 11 (CH2) | 25.5 |
| 12 (CH2) | 27 |
| 13 (CH) | 59.1 |
| 14 (C) | 163.8 |
| 15 (CH) | 129.1 |
| 16 (C) | 201.4 |
| 17 (CH) | 59.6 |
| 18 (C) | 44.8 |
| 19 (CH2) | 32.1 |
| 20 (CH2) | 26 |
| 21 (CH) | 76 |
| 22 (C) | 37.7 |
| 23 (CH3) | 25.6 |
| 24 (C) | 180.6 |
| 25 (CH3) | 14.2 |
| 26 (CH3) | 19.9 |
| 27 (CH2) | 56.3 |
| 28 (CH3) | 15.3 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 29.1 |
