Common Name: (23R)-23-Hydroxy-3beta-(sulfooxy)-29-norlanosta-8,24-diene-28-oic acid 28-methyl ester
Synonyms: (23R)-23-Hydroxy-3beta-(sulfooxy)-29-norlanosta-8,24-diene-28-oic acid 28-methyl ester
CAS Registry Number:
InChI: InChI=1S/C30H48O7S/c1-18(2)16-20(31)17-19(3)21-10-14-30(6)23-8-9-24-26(27(32)36-7)25(37-38(33,34)35)12-13-28(24,4)22(23)11-15-29(21,30)5/h16,19-21,24-26,31H,8-15,17H2,1-7H3,(H,33,34,35)/t19-,20+,21-,24+,25+,26+,28-,29-,30+/m1/s1
InChIKey: InChIKey=CJTOMRNUZCVNGX-WBQUUXFCSA-N
Formula: C30H48O7S1
Molecular Weight: 552.765152
Exact Mass: 552.312075
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 : 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)
Position | PPM |
---|---|
1 (CH2) | 35.6 |
2 (CH2) | 28.7 |
3 (CH) | 80.5 |
4 (CH) | 53 |
5 (CH) | 45.2 |
6 (CH2) | 23.5 |
7 (CH2) | 26.1 |
8 (C) | 136.3 |
9 (C) | 134.5 |
10 (C) | 36.8 |
11 (CH2) | 22.9 |
12 (CH2) | 32.3 |
13 (C) | 45.9 |
14 (C) | 51.1 |
15 (CH2) | 31.8 |
16 (CH2) | 29.2 |
17 (CH) | 52.3 |
18 (CH3) | 16.3 |
19 (CH3) | 18 |
20 (CH) | 34.2 |
21 (CH3) | 19.3 |
22 (CH2) | 45.6 |
23 (CH) | 66.7 |
24 (CH) | 130.5 |
25 (C) | 133.4 |
26 (CH3) | 25.9 |
27 (CH3) | 18.1 |
28 (C) | 176 |
30 (CH3) | 24.8 |
28a (CH3) | 52.2 |