Spektraris NMR
21α-Hydroxyserrat-14-en-3β-yl p-dihydrocoumarate
Common Name: 21α-Hydroxyserrat-14-en-3β-yl p-dihydrocoumarate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H58O4/c1-35(2)29-15-11-26-24-37(5)21-18-30-36(3,4)33(43-34(42)17-10-25-8-12-27(40)13-9-25)20-23-39(30,7)31(37)16-14-28(26)38(29,6)22-19-32(35)41/h8-9,11-13,28-33,40-41H,10,14-24H2,1-7H3/t28-,29-,30-,31-,32-,33-,37-,38+,39-/m0/s1
InChIKey: InChIKey=ORFINALVPBBSTR-IFPONGSISA-N
Formula: C39H58O4
Molecular Weight: 590.876883
Exact Mass: 590.43351
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) | 80.7 |
| 4 (C) | 38.3 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 45.3 |
| 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) | 24.3 |
| 21 (CH) | 78.3 |
| 22 (C) | 39.5 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 16 |
| 26 (CH3) | 20.1 |
| 27 (CH2) | 56.4 |
| 28 (CH3) | 13.8 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 28.3 |
| 3a (C) | 172.3 |
| 3b (CH2) | 36.9 |
| 3c (CH2) | 30.8 |
| 3d (C) | 131.6 |
| 3e (CH) | 130 |
| 3f (CH) | 116.4 |
| 3g (C) | 157.5 |
| 3h (CH) | 116.4 |
| 3i (CH) | 130 |
