(3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate

(3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate

Common Name: (3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C37H60O7/c1-21(2)17-29(39)44-28-13-14-34(7)25-12-15-36-20-37(36,35(25,8)27(38)19-26(34)32(28,3)4)16-11-23(36)22-18-24(43-31(22)41-9)30(40)33(5,6)42-10/h17,22-28,30-31,38,40H,11-16,18-20H2,1-10H3/t22-,23-,24+,25+,26-,27+,28+,30-,31+,34+,35-,36+,37+/m0/s1

InChIKey: InChIKey=JUEKOSOQMCJFER-PAGYNASHSA-N

Formula: C37H60O7

Molecular Weight: 616.869508

Exact Mass: 616.433904

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mitsui, K., Maejima, M., Saito, H., Fukaya, H., Hitotsuyanagi, Y., Takeya, K. Tetrahedron (2005) 61, 10569-82

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) 34
2 (CH2) 22.8
3 (CH) 77
4 (C) 36.3
5 (CH) 41.3
6 (CH2) 24.2
7 (CH) 74.3
8 (C) 39.1
9 (CH) 43.9
10 (C) 37.3
11 (CH2) 16.1
12 (CH2) 25.5
13 (C) 28.6
14 (C) 36.3
15 (CH2) 25.9
16 (CH2) 26.3
17 (CH) 48.5
18 (CH2) 13.6
19 (CH3) 15.7
20 (CH) 49.4
21 (CH) 108.9
22 (CH2) 33.9
23 (CH) 75.2
24 (CH) 76.4
25 (C) 77.3
26 (CH3) 20.1
27 (CH3) 21.6
28 (CH3) 27.7
29 (CH3) 21.9
30 (CH3) 19.4
3a (C) 166.5
3b (CH) 117
3c (C) 155.8
3d (CH3) 27.4
3ca (CH3) 20.3
21a (CH3) 55.5
25a (CH3) 49.2