Spektraris NMR
(3α,5ξ,12α,25S)-12-Hydroxy-26-methoxy-24-methylene-26-oxolanost-8-en-3-yl methyl (3S)-3-hydroxy-3-methylpentanedioate
Common Name: (3α,5ξ,12α,25S)-12-Hydroxy-26-methoxy-24-methylene-26-oxolanost-8-en-3-yl methyl (3S)-3-hydroxy-3-methylpentanedioate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H62O8/c1-23(25(3)34(43)46-11)12-13-24(2)26-16-19-38(8)27-14-15-29-35(4,5)31(47-33(42)22-36(6,44)21-32(41)45-10)17-18-37(29,7)28(27)20-30(40)39(26,38)9/h24-26,29-31,40,44H,1,12-22H2,2-11H3/t24-,25+,26-,29+,30+,31-,36+,37-,38+,39+/m1/s1
InChIKey: InChIKey=WUAOOJZSFBGODD-WTTNGESVSA-N
Formula: C39H62O8
Molecular Weight: 658.906266
Exact Mass: 658.444469
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) | 23.3 |
| 3 (CH) | 78.6 |
| 4 (C) | 36.7 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 26 |
| 8 (C) | 134.8 |
| 9 (C) | 132.9 |
| 10 (C) | 36.8 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 73.3 |
| 13 (C) | 49.6 |
| 14 (C) | 49.7 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 18.8 |
| 20 (CH) | 36 |
| 21 (CH3) | 17.9 |
| 22 (CH2) | 34.3 |
| 23 (CH2) | 31.8 |
| 24 (C) | 148.7 |
| 25 (CH) | 45.6 |
| 26 (C) | 175 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 24.5 |
| 3a (C) | 171.9 |
| 3b (CH2) | 45.1 |
| 3c (C) | 69.7 |
| 3d (CH2) | 44.8 |
| 3e (C) | 172.1 |
| 3aa (CH3) | 27.4 |
| 3ab (CH3) | 51.7 |
| 24a (CH2) | 110.9 |
| 26a (CH3) | 51.9 |
