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)
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 |