Spektraris NMR
(24S)-21,25-Cyclo-5alpha-dammara-20(22)-ene-3beta,24-diol
Common Name: (24S)-21,25-Cyclo-5alpha-dammara-20(22)-ene-3beta,24-diol
Synonyms: (24S)-21,25-Cyclo-5alpha-dammara-20(22)-ene-3beta,24-diol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-26(2)18-19(8-11-24(26)31)20-12-16-29(6)21(20)9-10-23-28(5)15-14-25(32)27(3,4)22(28)13-17-30(23,29)7/h8,20-25,31-32H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,25+,28+,29-,30-/m1/s1
InChIKey: InChIKey=RQEZDUKGGUJGFH-VAGSCCGESA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cai, X.H., Luo, X.D., Zhou, J., Hao, X. J Org Lett (2005) 7, 2877-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.2 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 79.1 |
| 4 (C) | 39 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.5 |
| 8 (C) | 40.5 |
| 9 (CH) | 51 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 25 |
| 13 (CH) | 44.4 |
| 14 (C) | 49.4 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 48.4 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 15.7 |
| 20 (C) | 138.9 |
| 21 (CH2) | 37.8 |
| 22 (CH) | 116.8 |
| 23 (CH2) | 31.5 |
| 24 (CH) | 74.2 |
| 25 (C) | 34.5 |
| 26 (CH3) | 21.5 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 15.8 |
