22a,28-Glycolaldehide acetal of camelliagenin A

22a,28-Glycolaldehide acetal of camelliagenin A

Common Name: 22a,28-Glycolaldehide acetal of camelliagenin A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H52O5/c1-27(2)14-20-19-8-9-22-29(5)12-11-23(34)28(3,4)21(29)10-13-30(22,6)31(19,7)15-24(35)32(20)18-36-26(17-33)37-25(32)16-27/h8,20-26,33-35H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,25-,26?,29-,30+,31+,32-/m0/s1

InChIKey: InChIKey=ZCQZVKONUZOKAN-VNASNZJHSA-N

Formula: C32H52O5

Molecular Weight: 516.753493

Exact Mass: 516.381475

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chakravarty A.K., Das B., Pakrashi S.C. Phytochemistry (1987) 26, 2345

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) 39.2
2 (CH2) 27.9
3 (CH) 78.1
4 (C) 39.4
5 (CH) 55.8
6 (CH2) 18.8
7 (CH2) 33.2
8 (C) 40.4
9 (CH) 47.1
10 (C) 37.2
11 (CH2) 23.8
12 (CH) 123
13 (C) 143.1
14 (C) 42.5
15 (CH2) 35.1
16 (CH) 68.5
17 (C) 40.4
18 (CH) 43.7
19 (CH2) 46.6
20 (C) 32
21 (CH2) 40.4
22 (CH) 83.5
23 (CH3) 28.8
24 (CH3) 16.6
25 (CH3) 15.8
26 (CH3) 17.2
27 (CH3) 27.9
28 (CH2) 76.9
29 (CH3) 33.7
30 (CH3) 26.5
22a (CH) 104.2
22b (CH2) 64.5