Celasdin-B

Celasdin-B

Common Name: Celasdin-B

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O3/c1-19-20(32)8-9-21-26(19,4)11-10-22-27(21,5)13-14-28(6)23-16-25(2,3)12-15-30(23,18-31)24(33)17-29(22,28)7/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21+,22-,23-,24+,26+,27-,28-,29+,30+/m0/s1

InChIKey: InChIKey=ZGPGTQGECMDFNI-OJEITCFUSA-N

Formula: C30H50O3

Molecular Weight: 458.717329

Exact Mass: 458.375995

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kuo, Y.H., Kuo, L.M.Y. Phytochemistry (1997) 44, 1275-81

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) 22.18
2 (CH2) 41.42
3 (C) 213
4 (CH) 58.11
5 (C) 42.04
6 (CH2) 41.15
7 (CH2) 18.31
8 (CH) 49.86
9 (C) 37.39
10 (CH) 59.53
11 (CH2) 34.89
12 (CH2) 29.35
13 (C) 39.88
14 (C) 39.19
15 (CH2) 36.8
16 (CH) 74.3
17 (C) 41.02
18 (CH) 41.75
19 (CH2) 33.66
20 (C) 28.02
21 (CH2) 33.78
22 (CH2) 19.85
23 (CH3) 6.75
24 (CH3) 14.66
25 (CH3) 19.25
26 (CH3) 16.47
27 (CH3) 19.7
28 (CH2) 71.28
29 (CH3) 36.96
30 (CH3) 31.76