Spektraris NMR
(25s,3'S)-(+)-12a-hydroxy-3a-(3'-hydroxy-3'-methyl-glutaryloxy)-24-methyllanosta-8,24(31)-dien-26-oi
Common Name: (25s,3'S)-(+)-12a-hydroxy-3a-(3'-hydroxy-3'-methyl-glutaryloxy)-24-methyllanosta-8,24(31)-dien-26-oi
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H58O8/c1-21(23(3)32(42)43)10-11-22(2)24-14-17-36(8)25-12-13-27-33(4,5)29(45-31(41)20-34(6,44)19-30(39)40)15-16-35(27,7)26(25)18-28(38)37(24,36)9/h22-24,27-29,38,44H,1,10-20H2,2-9H3,(H,39,40)(H,42,43)/t22-,23+,24-,27+,28+,29-,34+,35-,36+,37+/m1/s1
InChIKey: InChIKey=PDPHXWNFSFMLOA-PSXTVMJQSA-N
Formula: C37H58O8
Molecular Weight: 630.853031
Exact Mass: 630.413169
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamo, T., Asanoma, M., Shibata, H., Hirota, M. J Nat Prod (2003) 66, 1104-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 30.6 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 79.3 |
| 4 (C) | 36.7 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 18 |
| 7 (CH2) | 26 |
| 8 (C) | 134.9 |
| 9 (C) | 132.8 |
| 10 (C) | 36.7 |
| 11 (CH2) | 32.4 |
| 12 (CH) | 73.5 |
| 13 (C) | 49.5 |
| 14 (C) | 49.5 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 18.9 |
| 20 (CH) | 36 |
| 21 (CH3) | 17.9 |
| 22 (CH2) | 34.3 |
| 23 (CH2) | 31.7 |
| 24 (C) | 148.3 |
| 25 (CH) | 45.4 |
| 26 (C) | 179.6 |
| 27 (CH3) | 16.2 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 24.8 |
| 3a (C) | 172.2 |
| 3b (CH2) | 45.2 |
| 3c (C) | 69.9 |
| 3d (CH2) | 44.5 |
| 3e (C) | 174.4 |
| 3aa (CH3) | 27.3 |
| 24a (CH2) | 111.4 |
