3-oxo-7β,12β-dihydroxy-25, 26,27-trinorcycloartan-24,16R-olide

3-oxo-7β,12β-dihydroxy-25, 26,27-trinorcycloartan-24,16R-olide

Common Name: 3-oxo-7β,12β-dihydroxy-25, 26,27-trinorcycloartan-24,16R-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H40O5/c1-14-6-7-20(31)32-16-11-24(4)22-15(28)10-17-23(2,3)18(29)8-9-26(17)13-27(22,26)12-19(30)25(24,5)21(14)16/h14-17,19,21-22,28,30H,6-13H2,1-5H3/t14-,15+,16-,17+,19-,21+,22+,24+,25-,26-,27+/m1/s1

InChIKey: InChIKey=VOQMBAJQSRMTML-CMXOSDEXSA-N

Formula: C27H40O5

Molecular Weight: 444.604524

Exact Mass: 444.287574

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Xiao, W.L., Tian, R.R., Pu, J.X., Li, X., Wu, L., Lu, Y., Li, S.H., Li, R.T., Zheng, Y.T., Zheng, Q.T., Sun, H.D. J Nat Prod (2006) 69, 277-9

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) 33.4
2 (CH2) 37.5
3 (C) 214.6
4 (C) 49.9
5 (CH) 47.3
6 (CH2) 32.5
7 (CH) 69.8
8 (CH) 54.1
9 (C) 20.5
10 (C) 25.7
11 (CH2) 40.7
12 (CH) 70.7
13 (C) 48.5
14 (C) 53.7
15 (CH2) 46.3
16 (CH) 84.6
17 (CH) 60.4
18 (CH3) 12.7
19 (CH2) 28.5
20 (CH) 35.7
21 (CH3) 22
22 (CH2) 34.4
23 (CH2) 34.5
24 (C) 175.5
28 (CH3) 22.6
29 (CH3) 20.1
30 (CH3) 20.7