(21S,23S)-Epoxy-21a-methoxy-7a,24S,25-trihydroxy-4a,4b,8b,10b-tetramethyl-25-dimethyl-14,18-cyclo-5a,13a,14a,17a-cholestan-3b-N-methylanthranilic acid ester

(21S,23S)-Epoxy-21a-methoxy-7a,24S,25-trihydroxy-4a,4b,8b,10b-tetramethyl-25-dimethyl-14,18-cyclo-5a,13a,14a,17a-cholestan-3b-N-methylanthranilic acid ester

Common Name: (21S,23S)-Epoxy-21a-methoxy-7a,24S,25-trihydroxy-4a,4b,8b,10b-tetramethyl-25-dimethyl-14,18-cyclo-5a,13a,14a,17a-cholestan-3b-N-methylanthranilic acid ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C39H59NO7/c1-34(2)28-20-29(41)37(6)27(36(28,5)16-15-30(34)47-32(43)22-11-9-10-12-25(22)40-7)14-17-38-21-39(37,38)18-13-24(38)23-19-26(46-33(23)45-8)31(42)35(3,4)44/h9-12,23-24,26-31,33,40-42,44H,13-21H2,1-8H3/t23?,24-,26+,27+,28-,29+,30-,31?,33-,36+,37-,38+,39+/m0/s1

InChIKey: InChIKey=YERUMUXLLQMXCB-TVEJBONPSA-N

Formula: C39H59N1O7

Molecular Weight: 653.889782

Exact Mass: 653.429153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Biavatti, M.W., Vieira, P.C., Da Silva, M.F., Fernandes, J.B., Albuquerque, S. J Nat Prod (2002) 65, 562-5

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) 25.4
3 (CH) 80.5
4 (C) 37
5 (CH) 46.1
6 (CH2) 23.6
7 (CH) 74.3
8 (C) 37.6
9 (CH) 44
10 (C) 37.2
11 (CH2) 16.4
12 (CH2) 24.1
13 (C) 28.4
14 (C) 38.8
15 (CH2) 27.5
16 (CH2) 28.8
17 (CH) 44.8
18 (CH2) 13.6
19 (CH3) 15.9
20 (CH) 49.5
21 (CH) 104.8
22 (CH2) 26.2
23 (CH) 79.8
24 (CH) 78
25 (C) 71.4
26 (CH3) 27.6
27 (CH3) 25.2
28 (CH3) 27.9
29 (CH3) 17
30 (CH3) 19.5
3a (C) 168.3
3b (C) 110.6
3c (C) 152.1
3d (CH) 110.6
3e (CH) 134.4
3f (CH) 114.2
3g (CH) 131.4
3h (CH3) 29.5
21a (CH3) 54.8