(3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate

(3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate

Common Name: (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H58O8/c1-20(2)15-28(39)44-27-11-12-32(5)24-10-13-35-18-36(35,34(24,7)26(38)17-25(32)31(27,3)4)14-9-22(35)21-16-23(43-30(21)42-8)29(40)33(6,41)19-37/h15,21-27,29-30,37-38,40-41H,9-14,16-19H2,1-8H3/t21-,22-,23+,24+,25-,26+,27-,29?,30+,32+,33?,34-,35+,36+/m0/s1

InChIKey: InChIKey=HJLXIEMILCSVEY-XFYDYYARSA-N

Formula: C36H58O8

Molecular Weight: 618.842295

Exact Mass: 618.413169

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) 38.2
2 (CH2) 23.7
3 (CH) 79.7
4 (C) 37.3
5 (CH) 46.1
6 (CH2) 24.2
7 (CH) 74.2
8 (C) 38.9
9 (CH) 43.9
10 (C) 37.2
11 (CH2) 16.3
12 (CH2) 25.5
13 (C) 28.4
14 (C) 36.2
15 (CH2) 25.8
16 (CH2) 26.2
17 (CH) 48.4
18 (CH2) 13.6
19 (CH3) 15.9
20 (CH) 49.1
21 (CH) 109.4
22 (CH2) 33.1
23 (CH) 75.7
24 (CH) 75.4
25 (C) 74.3
26 (CH2) 67.9
27 (CH3) 20.7
28 (CH3) 27.7
29 (CH3) 16.8
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) 55.9