ent-11β-Acetoxy-5α-ros-1(10)-en-15ξ,16-diol

ent-11β-Acetoxy-5α-ros-1(10)-en-15ξ,16-diol

Common Name: ent-11β-Acetoxy-5α-ros-1(10)-en-15ξ,16-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H40O6/c1-16(27)30-15-23(32-18(3)29)25(6)13-19-10-11-20-21(9-8-12-24(20,4)5)26(19,7)22(14-25)31-17(2)28/h9,19-20,22-23H,8,10-15H2,1-7H3/t19-,20-,22+,23?,25+,26-/m0/s1

InChIKey: InChIKey=CTWXTZGDYLLCNK-VVAXQREOSA-N

Formula: C26H40O6

Molecular Weight: 448.593193

Exact Mass: 448.282489

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 953-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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 (CH) 121.6
2 (CH2) 21.8
3 (CH2) 35.2
4 (C) 31.2
5 (CH) 32
6 (CH2) 24.6
7 (CH2) 23.3
8 (CH) 41.3
9 (C) 42.1
10 (C) 144.9
11 (CH) 75
12 (CH2) 34.4
13 (C) 37.5
14 (CH2) 35.8
15 (CH) 78.5
16 (CH2) 62.8
17 (CH3) 23.2
18 (CH3) 20.4
19 (CH3) 28.7
20 (CH3) 14.3
11a (C) 170.2
11b (CH3) 20.7
15a (C) 170.5
15b (CH3) 21.4
16a (C) 170.7
16b (CH3) 20.8