(3α,5α,7α,13α,17α,20S,23S,24R)-7,23,25-Trihydroxy-4,4,8-trimethyl-21,24-epoxycholest-14-en-3-yl 3-methyl-2-butenoate

(3α,5α,7α,13α,17α,20S,23S,24R)-7,23,25-Trihydroxy-4,4,8-trimethyl-21,24-epoxycholest-14-en-3-yl 3-methyl-2-butenoate

Common Name: (3α,5α,7α,13α,17α,20S,23S,24R)-7,23,25-Trihydroxy-4,4,8-trimethyl-21,24-epoxycholest-14-en-3-yl 3-methyl-2-butenoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H56O6/c1-20(2)16-29(38)41-28-13-15-34(8)25-12-14-33(7)22(21-17-23(36)30(40-19-21)32(5,6)39)10-11-24(33)35(25,9)27(37)18-26(34)31(28,3)4/h11,16,21-23,25-28,30,36-37,39H,10,12-15,17-19H2,1-9H3/t21-,22+,23-,25-,26+,27-,28-,30-,33+,34-,35+/m1/s1

InChIKey: InChIKey=SUMSMGMHAXRNEQ-CJWUIFORSA-N

Formula: C35H56O6

Molecular Weight: 572.816868

Exact Mass: 572.40769

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mitsui, K., Saito, H., Yamamura, R., Fukaya, H., Hitotsuyanagi, Y., Takeya, K. Chem Pharm Bull (2007) 55, 1442-7

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) 33.4
2 (CH2) 22.8
3 (CH) 77.1
4 (C) 36.3
5 (CH) 41.9
6 (CH2) 23.7
7 (CH) 72.5
8 (C) 44.5
9 (CH) 41.8
10 (C) 37.6
11 (CH2) 16.4
12 (CH2) 34.2
13 (C) 46.7
14 (C) 162.4
15 (CH) 119.8
16 (CH2) 34.9
17 (CH) 52.3
18 (CH3) 19.2
19 (CH3) 15.3
20 (CH) 35.8
21 (CH2) 70.1
22 (CH2) 36.4
23 (CH) 64.5
24 (CH) 86.6
25 (C) 74.2
26 (CH3) 24.1
27 (CH3) 28.6
28 (CH3) 27.7
29 (CH3) 21.8
30 (CH3) 27.9
3a (C) 166.5
3b (CH) 117
3c (C) 155.7
3d (CH3) 27.4
3ca (CH3) 20.3