Spektraris NMR
21alpa-Hydroxyserrat-14-en-3β-yl propanedioic acidmonoester
Common Name: 21alpa-Hydroxyserrat-14-en-3β-yl propanedioic acidmonoester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O5/c1-29(2)22-10-8-20-19-31(5)15-12-23-30(3,4)26(38-28(37)18-27(35)36)14-17-33(23,7)24(31)11-9-21(20)32(22,6)16-13-25(29)34/h8,21-26,34H,9-19H2,1-7H3,(H,35,36)/t21-,22-,23-,24-,25-,26-,31-,32+,33-/m0/s1
InChIKey: InChIKey=FLBONCYMCTVFPW-NMOHVFRFSA-N
Formula: C33H52O5
Molecular Weight: 528.764228
Exact Mass: 528.381475
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) | 38.4 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 81.6 |
| 4 (C) | 38.4 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 19 |
| 7 (CH2) | 45.2 |
| 8 (C) | 37.4 |
| 9 (CH) | 62.6 |
| 10 (C) | 38.2 |
| 11 (CH2) | 25.5 |
| 12 (CH2) | 27.5 |
| 13 (CH) | 57.6 |
| 14 (C) | 138.6 |
| 15 (CH) | 122.9 |
| 16 (CH2) | 24.7 |
| 17 (CH) | 50.1 |
| 18 (C) | 36.5 |
| 19 (CH2) | 37.6 |
| 20 (CH2) | 24.2 |
| 21 (CH) | 78.3 |
| 22 (C) | 39.5 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 20.1 |
| 27 (CH2) | 56.4 |
| 28 (CH3) | 13.8 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 28.3 |
| 3a (C) | 167.8 |
| 3b (CH2) | 43.2 |
| 3c (C) | 169.9 |
