Spektraris NMR
7b,20,23Õ-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid
Common Name: 7b,20,23Õ-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15-17,19-20,31-32,38H,8-14H2,1-7H3,(H,36,37)/t15?,16?,17-,19-,20-,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=XMBMRJGNNOUNJL-FCBJXMNTSA-N
Formula: C30H44O8
Molecular Weight: 532.66671
Exact Mass: 532.303618
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) | 35.9 |
| 2 (CH2) | 34.5 |
| 3 (C) | 216.8 |
| 4 (C) | 47 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 27.9 |
| 7 (CH) | 66.5 |
| 8 (C) | 157.9 |
| 9 (C) | 141.3 |
| 10 (C) | 38.5 |
| 11 (C) | 197.8 |
| 12 (CH2) | 50.9 |
| 13 (C) | 45.7 |
| 14 (C) | 59.8 |
| 15 (C) | 218 |
| 16 (CH2) | 36.4 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 18.4 |
| 20 (C) | 73.3 |
| 21 (CH3) | 26.3 |
| 22 (CH2) | 48.5 |
| 23 (CH) | 74.8 |
| 24 (CH2) | 36.8 |
| 25 (CH) | 33.7 |
| 26 (CH3) | 16.1 |
| 27 (C) | 178.8 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 21 |
| 30 (CH3) | 25.3 |
