(3β,6α,9ξ,12β,13ξ,17ξ)-3,6,12-Trihydroxy-4,4,8,14-tetramethyl-18-norpregnan-20-one

(3β,6α,9ξ,12β,13ξ,17ξ)-3,6,12-Trihydroxy-4,4,8,14-tetramethyl-18-norpregnan-20-one

Common Name: (3β,6α,9ξ,12β,13ξ,17ξ)-3,6,12-Trihydroxy-4,4,8,14-tetramethyl-18-norpregnan-20-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H40O4/c1-13(25)14-7-10-23(5)19(14)15(26)11-17-22(4)9-8-18(28)21(2,3)20(22)16(27)12-24(17,23)6/h14-20,26-28H,7-12H2,1-6H3/t14-,15-,16+,17-,18+,19+,20+,22-,23-,24-/m1/s1

InChIKey: InChIKey=CEXMMAAALAYHJI-YHSFQWPTSA-N

Formula: C24H40O4

Molecular Weight: 392.572911

Exact Mass: 392.29266

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Wu, L.J., Wang, L.B., Gao, H.Y., Wu, B., Song, X.M., Tang, Z.S. Fitoterapia (2007) 78, 556-60

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) 38.5
2 (CH2) 27.1
3 (CH) 77
4 (C) 38.7
5 (CH) 60.4
6 (CH) 66.3
7 (CH2) 46.8
8 (C) 40.4
9 (CH) 49.6
10 (C) 40
11 (CH2) 32.3
12 (CH) 69.9
13 (CH) 53.4
14 (C) 50.7
15 (CH2) 31.8
16 (CH2) 26.8
17 (CH) 51.8
18 (CH3) 16.7
19 (CH3) 17.2
20 (C) 212.7
21 (CH3) 30
28 (CH3) 31.1
29 (CH3) 15.8
30 (CH3) 16.9