Spektraris NMR
(9beta,24S)-24,25-Dihydroxylanosta-7-ene-3-one
Common Name: (9beta,24S)-24,25-Dihydroxylanosta-7-ene-3-one
Synonyms: (9beta,24S)-24,25-Dihydroxylanosta-7-ene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,19-21,23,25,32-33H,9,11-18H2,1-8H3/t19-,20-,21-,23+,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=ZDOLIOLHSICTGE-WNPHQVSTSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wada, S., Iida, A., Tanaka, R. J Nat Prod (2002) 65, 1657-9
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) | 34.1 |
| 2 (CH2) | 34.3 |
| 3 (C) | 219.2 |
| 4 (C) | 46.9 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 22.9 |
| 7 (CH) | 121.3 |
| 8 (C) | 148.7 |
| 9 (CH) | 45.4 |
| 10 (C) | 35.7 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 34.2 |
| 13 (C) | 43.9 |
| 14 (C) | 51.8 |
| 15 (CH2) | 33 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 53 |
| 18 (CH3) | 22.4 |
| 19 (CH3) | 23.1 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 33.3 |
| 23 (CH2) | 28.6 |
| 24 (CH) | 79.5 |
| 25 (C) | 73.1 |
| 26 (CH3) | 23.1 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 28 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 27.3 |
