(2S,4S,5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-2-acetyl-4-hydroxy-2-demethyl-3,4-seco-2,4-cyclocleroda-13-ene-15-oic acid methyl ester

(2S,4S,5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-2-acetyl-4-hydroxy-2-demethyl-3,4-seco-2,4-cyclocleroda-13-ene-15-oic acid methyl ester

Common Name: (2S,4S,5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-2-acetyl-4-hydroxy-2-demethyl-3,4-seco-2,4-cyclocleroda-13-ene-15-oic acid methyl ester

Synonyms: (2S,4S,5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-2-acetyl-4-hydroxy-2-demethyl-3,4-seco-2,4-cyclocleroda-13-ene-15-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C24H38O6/c1-14(11-21(27)29-8)9-10-22(5)15(2)19(30-17(4)26)13-23(6)20(22)12-18(16(3)25)24(23,7)28/h11,15,18-20,28H,9-10,12-13H2,1-8H3/b14-11+/t15-,18-,19-,20-,22+,23-,24+/m1/s1

InChIKey: InChIKey=JFXHBZJISWEQOJ-BQLPAVKISA-N

Formula: C24H38O6

Molecular Weight: 422.55584

Exact Mass: 422.266839

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tori, M., Katto, A., Sono, M. Phytochemistry (1999) 52, 487-93

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Clerodanes; 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) 25.1
2 (CH) 56.2
3 (C) 213.1
4 (C) 82.7
5 (C) 47.8
6 (CH2) 33.7
7 (CH) 76.1
8 (CH) 39.4
9 (C) 38
10 (CH) 46.7
11 (CH2) 38.9
12 (CH2) 34.9
13 (C) 160.8
14 (CH) 115.1
15 (C) 167.5
16 (CH3) 18.9
17 (CH3) 11
18 (CH3) 22.3
19 (CH3) 18.2
20 (CH3) 19.2
3a (CH3) 31.5
7a (C) 170.5
7b (CH3) 21.4
15a (CH3) 50.8