Spektraris NMR
Methyl (1α,3β,9β,11α)-3-hydroxy-24-methylene-1,11-epoxy-9,19-cyclolanostan-28-oate
Common Name: Methyl (1α,3β,9β,11α)-3-hydroxy-24-methylene-1,11-epoxy-9,19-cyclolanostan-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-18(2)19(3)9-10-20(4)21-13-14-28(5)22-11-12-23-30(7,27(34)35-8)24(33)15-25-32(23)17-31(22,32)26(36-25)16-29(21,28)6/h18,20-26,33H,3,9-17H2,1-2,4-8H3/t20-,21-,22+,23+,24+,25+,26-,28+,29-,30+,31+,32-/m1/s1
InChIKey: InChIKey=ZACJGBOXIXVNST-WYANDTGISA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. Chem Pharm Bull (2000) 48, 496-504
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 (CH) | 80.4 |
| 2 (CH2) | 37 |
| 3 (CH) | 71.7 |
| 4 (C) | 51.6 |
| 5 (CH) | 37.3 |
| 6 (CH2) | 19 |
| 7 (CH2) | 22.1 |
| 8 (CH) | 38.8 |
| 9 (C) | 32.9 |
| 10 (C) | 37.5 |
| 11 (CH) | 84.4 |
| 12 (CH2) | 39.6 |
| 13 (C) | 47.5 |
| 14 (C) | 49.5 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 34 |
| 17 (CH) | 51.3 |
| 18 (CH3) | 15.5 |
| 19 (CH2) | 30.6 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 31.6 |
| 24 (C) | 156.6 |
| 25 (CH) | 34 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.9 |
| 28 (C) | 178.5 |
| 29 (CH3) | 13.6 |
| 30 (CH3) | 18.8 |
| 24a (CH2) | 106.6 |
| 28a (CH3) | 51.7 |
