1-Deacetoxy-1-oxocaesalmin C

1-Deacetoxy-1-oxocaesalmin C

Common Name: 1-Deacetoxy-1-oxocaesalmin C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H30O7/c1-12-15-8-10-29-17(15)11-16-19(12)20(30-13(2)25)21(31-14(3)26)24(28)22(4,5)9-7-18(27)23(16,24)6/h8,10,16,19-21,28H,1,7,9,11H2,2-6H3/t16-,19-,20+,21-,23-,24+/m0/s1

InChIKey: InChIKey=ZZMDEZKJZXKYRT-WZMHDAGDSA-N

Formula: C24H30O7

Molecular Weight: 430.491719

Exact Mass: 430.199153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kalauni, S.K., Awale, S., Tezuka, Y., Banskota, A.H., Linn, T.Z., Kadota, S. Chem Pharm Bull (2005) 53, 1300-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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 (C) 211.7
2 (CH2) 35.3
3 (CH2) 39.2
4 (C) 38.8
5 (C) 82.6
6 (CH) 75.3
7 (CH) 74.3
8 (CH) 42
9 (CH) 39
10 (C) 54.9
11 (CH2) 21.3
12 (C) 152.1
13 (C) 119
14 (C) 138.6
15 (CH) 106.3
16 (CH) 141.6
17 (CH2) 104.6
18 (CH3) 29
19 (CH3) 21.6
20 (CH3) 16.2
6a (C) 170.2
6b (CH3) 21.3
7a (C) 170.1
7b (CH3) 21.6