(3b,4b.11a.12a.13b)-11,12-Epoxy-4,13-dihydroxy-4.23-(isopropylidenedioxy)-24.30-dinorolean-20(29)-en-28-oic Acid 28,13-Lactone

(3b,4b.11a.12a.13b)-11,12-Epoxy-4,13-dihydroxy-4.23-(isopropylidenedioxy)-24.30-dinorolean-20(29)-en-28-oic Acid 28,13-Lactone

Common Name: (3b,4b.11a.12a.13b)-11,12-Epoxy-4,13-dihydroxy-4.23-(isopropylidenedioxy)-24.30-dinorolean-20(29)-en-28-oic Acid 28,13-Lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H44O6/c1-17-7-12-29-14-13-28(6)27(5)11-8-18-26(4,10-9-20(32)30(18)16-34-25(2,3)37-30)22(27)21-23(35-21)31(28,19(29)15-17)36-24(29)33/h18-23,32H,1,7-16H2,2-6H3/t18-,19-,20+,21+,22-,23+,26+,27-,28+,29+,30-,31-/m1/s1

InChIKey: InChIKey=UCWFZJRAFMGHGU-HNLHEYJOSA-N

Formula: C31H44O6

Molecular Weight: 512.678636

Exact Mass: 512.313789

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wu, S.H., Yang, S.M., Wu, D.G., Cheng, Y.W., Peng, Q. Helv Chim Acta (2005) 88, 259-65

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) 38
2 (CH2) 26.8
3 (CH) 71
4 (C) 85
5 (CH) 52.2
6 (CH2) 18.6
7 (CH2) 30.8
8 (C) 40.8
9 (CH) 49.9
10 (C) 36.9
11 (CH) 52.6
12 (CH) 57
13 (C) 86.9
14 (C) 41.4
15 (CH2) 28.1
16 (CH2) 21.9
17 (C) 43.9
18 (CH) 54.6
19 (CH2) 34.5
20 (C) 146.1
21 (CH2) 31.8
22 (CH2) 30
23 (CH2) 69.6
25 (CH3) 16.1
26 (CH3) 18.9
27 (CH3) 20
28 (C) 178.3
29 (CH2) 110.1
4a (C) 110.6
4aa (CH3) 26.8
4ab (CH3) 26.5