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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C37H60O8/c1-21(2)16-29(40)45-28-12-13-33(5)25-11-14-36-19-37(36,35(25,7)27(39)18-26(33)32(28,3)4)15-10-23(36)22-17-24(44-31(22)42-8)30(41)34(6,20-38)43-9/h16,22-28,30-31,38-39,41H,10-15,17-20H2,1-9H3/t22-,23-,24+,25+,26-,27+,28+,30?,31+,33+,34?,35-,36+,37+/m0/s1

InChIKey: InChIKey=CPTHHUMNHVBJMW-HCLMRCSASA-N

Formula: C37H60O8

Molecular Weight: 632.868913

Exact Mass: 632.428819

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) 33.9
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) 44
10 (C) 37.3
11 (CH2) 16.1
12 (CH2) 25.6
13 (C) 28.6
14 (C) 36.4
15 (CH2) 25.9
16 (CH2) 26.3
17 (CH) 48.4
18 (CH2) 13.7
19 (CH3) 15.7
20 (CH) 49.4
21 (CH) 109.4
22 (CH2) 33.5
23 (CH) 75.3
24 (CH) 73.7
25 (C) 78.5
26 (CH2) 64.4
27 (CH3) 15.5
28 (CH3) 27.8
29 (CH3) 21.9
30 (CH3) 19.5
3a (C) 166.5
3b (CH) 117
3c (C) 155.7
3d (CH3) 27.4
3ca (CH3) 20.3
21a (CH3) 55.9
25a (CH3) 49.3