15ε-Hydroxy-16-oxospongi-13-en-19-oic acid

15ε-Hydroxy-16-oxospongi-13-en-19-oic acid

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)

Carbon NMR Peaks

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