Caseamembrin U

Caseamembrin U

Common Name: Caseamembrin U

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H40O7/c1-8-10-23(30)33-19-14-20-24(31-7)34-25(32-18(5)28)27(20)21(15-19)26(6,12-11-16(3)9-2)17(4)13-22(27)29/h9,14,17,19,21-22,24-25,29H,2-3,8,10-13,15H2,1,4-7H3/t17-,19+,21+,22+,24+,25-,26-,27+/m0/s1

InChIKey: InChIKey=RIWLUTMPAWHCLF-MNPXWRJLSA-N

Formula: C27H40O7

Molecular Weight: 476.603334

Exact Mass: 476.277404

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chen, C.Y., Cheng, Y.B., Chen, S.Y., Chien, C.T., Kuo, Y.H., Guh, J.H., Khalil, A.T., Shen, Y.C. Chem Biodivers (2008) 5, 162-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : 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) 27
2 (CH) 66.2
3 (CH) 121.7
4 (C) 146.3
5 (C) 53.6
6 (CH) 73.3
7 (CH2) 36.5
8 (CH) 37.4
9 (C) 37.8
10 (CH) 37.6
11 (CH2) 29.7
12 (CH2) 23.8
13 (C) 145.3
14 (CH) 140.4
15 (CH2) 112.3
16 (CH2) 115.3
17 (CH3) 15.7
18 (CH) 104.6
19 (CH) 95.4
20 (CH3) 25.4
2a (C) 173.2
2b (CH2) 36.2
2c (CH2) 18.6
2d (CH3) 13.7
18a (CH3) 56.2
19a (C) 169.4
19b (CH3) 21.6