Spektraris NMR
7b,23Õ-dihydroxy-3,11,15-trioxolanosta-8,20E(22)-dien-26-oic acid
Common Name: 7b,23Õ-dihydroxy-3,11,15-trioxolanosta-8,20E(22)-dien-26-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16-19,21,31-32H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16?,17?,18-,19+,21+,28+,29-,30+/m1/s1
InChIKey: InChIKey=GYRZOSZQWPIJBT-XZIWTQQDSA-N
Formula: C30H42O7
Molecular Weight: 514.651423
Exact Mass: 514.293054
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) | 35.9 |
| 2 (CH2) | 34.5 |
| 3 (C) | 216.7 |
| 4 (C) | 47 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 27.9 |
| 7 (CH) | 66.5 |
| 8 (C) | 157.8 |
| 9 (C) | 141.4 |
| 10 (C) | 38.6 |
| 11 (C) | 197.5 |
| 12 (CH2) | 49.2 |
| 13 (C) | 45.9 |
| 14 (C) | 58.8 |
| 15 (C) | 217.3 |
| 16 (CH2) | 38.1 |
| 17 (CH) | 48.3 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 18.4 |
| 20 (C) | 138.5 |
| 21 (CH3) | 18.3 |
| 22 (CH) | 126.9 |
| 23 (CH) | 74.5 |
| 24 (CH2) | 37.2 |
| 25 (CH) | 34.5 |
| 26 (C) | 179.8 |
| 27 (CH3) | 16 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 21 |
| 30 (CH3) | 24.8 |
