Spektraris NMR
Methyl (23R,25R)-3,4-seco-9beta-H-lanosta-4(28),7-dien-26,23-olid-3-oate
Common Name: Methyl (23R,25R)-3,4-seco-9beta-H-lanosta-4(28),7-dien-26,23-olid-3-oate
Synonyms: Methyl (23R,25R)-3,4-seco-9beta-H-lanosta-4(28),7-dien-26,23-olid-3-oate
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-19(2)23-9-10-26-25(29(23,5)14-13-27(32)34-8)12-16-30(6)24(11-15-31(26,30)7)20(3)17-22-18-21(4)28(33)35-22/h10,20-25H,1,9,11-18H2,2-8H3/t20-,21-,22-,23+,24-,25-,29+,30-,31+/m1/s1
InChIKey: InChIKey=IIPIWCJQGIFRHH-CVMHBQFTSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
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) | 28.9 |
| 2 (CH2) | 29.2 |
| 3 (C) | 175.1 |
| 4 (C) | 149.7 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 117.9 |
| 8 (C) | 146.3 |
| 9 (CH) | 38.7 |
| 10 (C) | 36.3 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 34 |
| 13 (C) | 43.8 |
| 14 (C) | 51.6 |
| 15 (CH2) | 34 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 53.5 |
| 18 (CH3) | 21.7 |
| 19 (CH3) | 24.1 |
| 20 (CH) | 33.1 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 42.6 |
| 23 (CH) | 76 |
| 24 (CH2) | 36.4 |
| 25 (CH) | 34.2 |
| 26 (C) | 180.2 |
| 27 (CH3) | 15.9 |
| 28 (CH2) | 112 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 27.4 |
| 3a (CH3) | 51.6 |
