Spektraris NMR
7b-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester
Common Name: 7b-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h11,17,19-20,22,33H,9-10,12-15H2,1-8H3/b16-11+/t17?,19-,20+,22+,29+,30-,31+/m1/s1
InChIKey: InChIKey=LPWWIRLWNQPIDU-HKWKCILSSA-N
Formula: C31H42O7
Molecular Weight: 526.662159
Exact Mass: 526.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shim, S.H., Ryu, J., Kim, J.S., Kang, S.S., Xu, Y., Jung, S.H., Lee, Y.S., Lee, S., Shin, K.H. J Nat Prod (2004) 67, 1110-3
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) | 35.6 |
| 2 (CH2) | 34.2 |
| 3 (C) | 216.4 |
| 4 (C) | 46.7 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 27.6 |
| 7 (CH) | 66.2 |
| 8 (C) | 157.3 |
| 9 (C) | 141.2 |
| 10 (C) | 38.3 |
| 11 (C) | 196.8 |
| 12 (CH2) | 48.9 |
| 13 (C) | 45.9 |
| 14 (C) | 58.6 |
| 15 (C) | 216.6 |
| 16 (CH2) | 37.8 |
| 17 (CH) | 49.7 |
| 18 (CH3) | 19 |
| 19 (CH3) | 18.1 |
| 20 (C) | 153.3 |
| 21 (CH3) | 21 |
| 22 (CH) | 124.7 |
| 23 (C) | 197.9 |
| 24 (CH2) | 47.7 |
| 25 (CH) | 34.8 |
| 26 (C) | 176.3 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 27 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 24.7 |
| 26a (CH3) | 51.9 |
