Spektraris NMR
Siphonellinol B
Common Name: Siphonellinol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-19(2)22(31)11-15-28(6)16-12-23(32)20(3)21(28)9-10-24-29(7)17-13-25(33)27(4,5)35-26(29)14-18-30(24,8)34/h22-26,31-34H,1,9-18H2,2-8H3/t22?,23?,24-,25-,26-,28?,29-,30+/m1/s1
InChIKey: InChIKey=IKCIATHXZFMGOJ-TYPOUDNHSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kashman, Y., Yosief, T., Carmeli, S. J Nat Prod (2001) 64, 175-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Siphonellanes; 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 (C) | 41.9 |
| 2 (CH2) | 33.5 |
| 3 (CH2) | 24.3 |
| 4 (CH) | 75.7 |
| 5 (C) | 77 |
| 7 (CH) | 75.5 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 38.3 |
| 10 (C) | 71.2 |
| 11 (CH) | 54.9 |
| 12 (CH2) | 25.6 |
| 13 (CH2) | 29.6 |
| 14 (C) | 134.6 |
| 15 (C) | 127.7 |
| 16 (CH) | 70.4 |
| 17 (CH2) | 25.7 |
| 18 (CH2) | 31.3 |
| 19 (C) | 42 |
| 20 (CH2) | 31.4 |
| 21 (CH2) | 27.7 |
| 22 (CH) | 74.9 |
| 23 (C) | 146.1 |
| 24 (CH2) | 110.2 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 12.1 |
| 27 (CH3) | 28 |
| 28 (CH3) | 20.3 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 19.5 |
| 31 (CH3) | 20.6 |
