Spektraris NMR
Iridotectoral A
Common Name: Iridotectoral A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30(28(33)35-25)27(14-9-17-31)26(24(5)20-32)15-16-29(30,6)34/h8,10,12-13,18,20,25,27-28,31,33-34H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24+/t25-,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=UYSHRHKOHCLBCE-JRFMIZDWSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Takahashi, K., Hoshino, Y., Suzuki, S., Hano, Y., Nomura, T. Phytochemistry (2000) 53, 925-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Iridals; 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 (CH3) | 11.3 |
| 2 (C) | 131.9 |
| 3 (CH2) | 62.4 |
| 4 (CH2) | 31.6 |
| 5 (CH2) | 27 |
| 6 (CH) | 50.2 |
| 7 (C) | 161.4 |
| 8 (CH2) | 19.6 |
| 9 (CH2) | 39.2 |
| 10 (C) | 74.6 |
| 11 (C) | 54.9 |
| 12 (CH2) | 42.9 |
| 13 (CH) | 69.5 |
| 14 (CH) | 128.9 |
| 15 (C) | 136.9 |
| 16 (CH) | 133.5 |
| 17 (CH) | 125.2 |
| 18 (CH) | 124.6 |
| 19 (C) | 139.7 |
| 20 (CH2) | 39.8 |
| 21 (CH2) | 26.3 |
| 22 (CH) | 123.6 |
| 23 (C) | 131.5 |
| 24 (CH3) | 25.4 |
| 25 (CH) | 190.4 |
| 26 (CH) | 104.8 |
| 27 (CH3) | 27.3 |
| 28 (CH3) | 12.8 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 17.4 |
