Common Name: 15ε-Hydroxy-16-oxospongi-13-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-18-8-4-9-20(3,17(23)24)13(18)7-10-19(2)12(18)6-5-11-14(19)16(22)25-15(11)21/h12-13,16,22H,4-10H2,1-3H3,(H,23,24)/t12-,13-,16?,18-,19-,20+/m1/s1
InChIKey: InChIKey=NEQPMYCWXBJEHW-CRJKIMHZSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hyosu, M., Kimura, J. J Nat Prod (2000) 63, 422-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) | 37.8 |
2 (CH2) | 16.8 |
3 (CH2) | 37.8 |
4 (C) | 43.1 |
5 (CH) | 56.2 |
6 (CH2) | 18.9 |
7 (CH2) | 36.1 |
8 (C) | 36.6 |
9 (CH) | 54.7 |
10 (C) | 38.4 |
11 (CH2) | 19.4 |
12 (CH2) | 21.1 |
13 (C) | 126 |
14 (C) | 168.5 |
15 (CH) | 97.5 |
16 (C) | 171.2 |
17 (CH3) | 20.1 |
18 (CH3) | 28.7 |
19 (C) | 178.7 |
20 (CH3) | 14.1 |