12-O-deacetyl-12-epi-scalarin

12-O-deacetyl-12-epi-scalarin

Common Name: 12-O-deacetyl-12-epi-scalarin

Synonyms: 12-O-deacetyl-12-epi-scalarin

CAS Registry Number:

InChI: InChI=1S/C25H38O4/c1-22(2)10-6-11-23(3)15(22)9-12-24(4)16-8-7-14-19(21(28)29-20(14)27)25(16,5)18(26)13-17(23)24/h7,15-19,21,26,28H,6,8-13H2,1-5H3/t15-,16-,17+,18+,19+,21+,23-,24-,25+/m0/s1

InChIKey: InChIKey=ATVQOEWPZTUPDT-PNXXKSHTSA-N

Formula: C25H38O4

Molecular Weight: 402.567766

Exact Mass: 402.27701

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tsukamoto, S., Miura, S., van Soest, R.W., Ohta, T. J Nat Prod (2003) 66, 438-40

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) 40.2
2 (CH2) 18.2
3 (CH2) 41.3
4 (C) 33.5
5 (CH) 56.5
6 (CH2) 18.7
7 (CH2) 42.2
8 (C) 37.5
9 (CH) 58.7
10 (C) 37.4
11 (CH2) 27.4
12 (CH) 78.6
13 (C) 37.4
14 (CH) 52.9
15 (CH2) 24.1
16 (CH) 135.7
17 (C) 128.9
18 (CH) 58.1
19 (CH) 100.5
20 (C) 167.5
21 (CH3) 33.7
22 (CH3) 21.7
23 (CH3) 16.4
24 (CH3) 16.8
25 (CH3) 9.8