Spektraris NMR
3β,28-Dihydroxycycloart-24-en-23-one 3-sulfate
Common Name: 3β,28-Dihydroxycycloart-24-en-23-one 3-sulfate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6S/c1-19(2)15-21(32)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-31)25(36-37(33,34)35)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h15,20,22-25,31H,7-14,16-18H2,1-6H3,(H,33,34,35)/p-1/t20-,22+,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=JZWIJMFLMKBCLP-SRLQEMFJSA-M
Formula: C30H48O6S1
Molecular Weight: 536.765747
Exact Mass: 536.31716
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Horgen, F.D., Sakamoto, B., Scheuer, P.J. J Nat Prod (2000) 63, 210-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 33 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 80.8 |
| 4 (C) | 45.8 |
| 5 (CH) | 41.5 |
| 6 (CH2) | 21.7 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 49.2 |
| 9 (C) | 21.1 |
| 10 (C) | 26.8 |
| 11 (CH2) | 27.5 |
| 12 (CH2) | 34 |
| 13 (C) | 46.6 |
| 14 (C) | 50.2 |
| 15 (CH2) | 36.6 |
| 16 (CH2) | 29.3 |
| 17 (CH) | 53.9 |
| 18 (CH3) | 18.6 |
| 19 (CH2) | 30.8 |
| 20 (CH) | 34.9 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 52.7 |
| 23 (C) | 204.2 |
| 24 (CH) | 125.4 |
| 25 (C) | 156.9 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 20.8 |
| 28 (CH2) | 64.2 |
| 29 (CH3) | 11.5 |
| 30 (CH3) | 19.8 |
