Spektraris NMR
(21,23S)-Epoxy-7a,21,24S,25-tetrahydroxy-4a,4b,8b,10‚tetramethyl-25-dimethyl-14,18-cyclo-5a,13a,14a,17rcholestan-3b-N-methylanthranilicacidester
Common Name: (21,23S)-Epoxy-7a,21,24S,25-tetrahydroxy-4a,4b,8b,10‚tetramethyl-25-dimethyl-14,18-cyclo-5a,13a,14a,17rcholestan-3b-N-methylanthranilicacidester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H57NO7/c1-33(2)27-19-28(40)36(6)26(35(27,5)15-14-29(33)46-31(42)21-10-8-9-11-24(21)39-7)13-16-37-20-38(36,37)17-12-23(37)22-18-25(45-32(22)43)30(41)34(3,4)44/h8-11,22-23,25-30,32,39-41,43-44H,12-20H2,1-7H3/t22?,23-,25+,26+,27-,28+,29-,30?,32-,35+,36-,37+,38+/m0/s1
InChIKey: InChIKey=FJSCIFMDQSXLCX-XVVJFMHDSA-N
Formula: C38H57N1O7
Molecular Weight: 639.863165
Exact Mass: 639.413503
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Biavatti, M.W., Vieira, P.C., Da Silva, M.F., Fernandes, J.B., Albuquerque, S. J Nat Prod (2002) 65, 562-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) | 38.1 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 80.3 |
| 4 (C) | 36.1 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 74 |
| 8 (C) | 37.6 |
| 9 (CH) | 44.8 |
| 10 (C) | 37.1 |
| 11 (CH2) | 16.2 |
| 12 (CH2) | 24 |
| 13 (C) | 28.5 |
| 14 (C) | 39.5 |
| 15 (CH2) | 26 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 48.6 |
| 18 (CH2) | 13.6 |
| 19 (CH3) | 15.8 |
| 20 (CH) | 49.8 |
| 21 (CH) | 96.5 |
| 22 (CH2) | 27.2 |
| 23 (CH) | 79.1 |
| 24 (CH) | 77.7 |
| 25 (C) | 71.2 |
| 26 (CH3) | 26.9 |
| 27 (CH3) | 26.4 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 19.3 |
| 3a (C) | 167.2 |
| 3b (C) | 109.6 |
| 3c (C) | 151.1 |
| 3d (CH) | 110.5 |
| 3e (CH) | 134.2 |
| 3f (CH) | 114.1 |
| 3g (CH) | 131.1 |
| 3h (CH3) | 29.3 |
