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

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

Common Name: (3β,7α,13α,17α,20S,21R,23R,24R)-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-SNLNFSKTSA-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) 38.3
2 (CH2) 23.7
3 (CH) 79.8
4 (C) 37.3
5 (CH) 46.2
6 (CH2) 24.2
7 (CH) 74.2
8 (C) 38.9
9 (CH) 44
10 (C) 37.3
11 (CH2) 16.3
12 (CH2) 25.5
13 (C) 28.6
14 (C) 36.1
15 (CH2) 25.9
16 (CH2) 26.2
17 (CH) 48.5
18 (CH2) 13.5
19 (CH3) 15.9
20 (CH) 49.3
21 (CH) 109
22 (CH2) 34
23 (CH) 75.2
24 (CH) 76.5
25 (C) 77
26 (CH3) 20.1
27 (CH3) 21.6
28 (CH3) 27.7
29 (CH3) 16.9
30 (CH3) 19.4
3a (C) 166.6
3b (CH) 116.7
3c (C) 155.8
3d (CH3) 27.4
3ca (CH3) 20.2
21a (CH3) 55.5
25a (CH3) 49.2