Spektraris NMR
(1α,3β,9β)-1-Acetoxy-3-hydroxy-24-methylene-9,19-cyclolanostan-28-oic acid
Common Name: (1α,3β,9β)-1-Acetoxy-3-hydroxy-24-methylene-9,19-cyclolanostan-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O5/c1-19(2)20(3)9-10-21(4)23-13-14-30(7)24-11-12-25-31(8,28(36)37)26(35)17-27(38-22(5)34)33(25)18-32(24,33)16-15-29(23,30)6/h19,21,23-27,35H,3,9-18H2,1-2,4-8H3,(H,36,37)/t21-,23-,24+,25+,26+,27+,29-,30+,31+,32+,33-/m1/s1
InChIKey: InChIKey=ZQZWWIJULHBFKT-MMTPFLLOSA-N
Formula: C33H52O5
Molecular Weight: 528.764228
Exact Mass: 528.381475
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) | 76.5 |
| 2 (CH2) | 35 |
| 3 (CH) | 70.3 |
| 4 (C) | 55.1 |
| 5 (CH) | 38.9 |
| 6 (CH2) | 22.8 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 46.3 |
| 9 (C) | 20.8 |
| 10 (C) | 30 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 33 |
| 13 (C) | 45.2 |
| 14 (C) | 49.2 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 25.1 |
| 17 (CH) | 52.5 |
| 18 (CH3) | 17.9 |
| 19 (CH2) | 28 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 35.2 |
| 23 (CH2) | 31.7 |
| 24 (C) | 156.7 |
| 25 (CH) | 34 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 22 |
| 28 (C) | 179.5 |
| 29 (CH3) | 9.6 |
| 30 (CH3) | 19.1 |
| 1a (C) | 170.1 |
| 1b (CH3) | 21.1 |
| 24a (CH2) | 106.6 |
