22-Hydroxy-24-metylsedn-16-en-24-one-12β,25β-olide

22-Hydroxy-24-metylsedn-16-en-24-one-12β,25β-olide

Common Name: 22-Hydroxy-24-metylsedn-16-en-24-one-12β,25β-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H38O4/c1-15(28)16-7-8-18-24(4)12-9-17-23(2,3)10-6-11-26(17,14-27)19(24)13-20-25(18,5)21(16)22(29)30-20/h7,17-21,27H,6,8-14H2,1-5H3/t17-,18-,19-,20+,21+,24-,25+,26+/m0/s1

InChIKey: InChIKey=VDBPCCVBAJLGOR-JWZWEURHSA-N

Formula: C26H38O4

Molecular Weight: 414.578502

Exact Mass: 414.27701

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Stessman, C.C., Ebel, R., Corvino, A.J., Crews, P. J Nat Prod (2002) 65, 1183-6

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) 35.1
2 (CH2) 17.6
3 (CH2) 41.7
4 (C) 33.3
5 (CH) 57.7
6 (CH2) 18.5
7 (CH2) 41.7
8 (C) 38.3
9 (CH) 61.4
10 (C) 43.5
11 (CH2) 24.4
12 (CH) 89.9
13 (C) 43.3
14 (CH) 50.9
15 (CH2) 24.6
16 (CH) 140.8
17 (C) 136.7
18 (CH) 55.5
19 (CH3) 21.9
20 (CH3) 34
21 (CH3) 16.4
22 (CH2) 62.8
23 (CH3) 13.7
24 (C) 197.9
25 (C) 173.4
24a (CH3) 27.5