Spektraris NMR
20(R),25-epoxy-3β,6α,16β,24α-tetrahydroxycycloartane
Common Name: 20(R),25-epoxy-3β,6α,16β,24α-tetrahydroxycycloartane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-24(2)20(33)9-11-30-16-29(30)13-12-26(5)23(28(7)10-8-21(34)25(3,4)35-28)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23+,26+,27-,28?,29-,30+/m0/s1
InChIKey: InChIKey=VIOYSPVPEAYUTR-SHYQNIINSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Calis, I., Gazar, H.A., Piacente, S., Pizza, C. J Nat Prod (2001) 64, 1179-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.1 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 78.4 |
| 4 (C) | 41.5 |
| 5 (CH) | 53.8 |
| 6 (CH) | 69.3 |
| 7 (CH2) | 38 |
| 8 (CH) | 46.9 |
| 9 (C) | 20.8 |
| 10 (C) | 29.4 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 34 |
| 13 (C) | 46.5 |
| 14 (C) | 45.9 |
| 15 (CH2) | 47.8 |
| 16 (CH) | 73.6 |
| 17 (CH) | 60.2 |
| 18 (CH3) | 20.9 |
| 19 (CH2) | 31.5 |
| 20 (C) | 79.3 |
| 21 (CH3) | 27.7 |
| 22 (CH2) | 26 |
| 23 (CH2) | 23 |
| 24 (CH) | 69.6 |
| 25 (C) | 75 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 27.9 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 15.3 |
| 30 (CH3) | 20.2 |
