Spektraris NMR
2a,3a,24-Trihydroxiurs-12-en-28-oic acid
Common Name: 2a,3a,24-Trihydroxiurs-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=JXSVIVRDWWRQRT-UMCOSQRYSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chusheng H., Zhuangxin Z., Gansun L., Jun Z. Acta Bot Yunnan (1988) 10, 93
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 42.1 |
| 2 (CH) | 66.1 |
| 3 (CH) | 74 |
| 4 (C) | 45 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.9 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.9 |
| 10 (C) | 38.4 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 125.4 |
| 13 (C) | 139.1 |
| 14 (C) | 42.4 |
| 15 (CH2) | 28.7 |
| 16 (CH2) | 24.8 |
| 17 (C) | 47.9 |
| 18 (CH) | 53.4 |
| 19 (CH) | 39.9 |
| 20 (CH) | 39.4 |
| 21 (CH2) | 30.7 |
| 22 (CH2) | 37.3 |
| 23 (CH3) | 23.7 |
| 24 (CH2) | 65.1 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 23.7 |
| 28 (C) | 179.8 |
| 29 (CH3) | 17.3 |
| 30 (CH3) | 21.4 |
