(1β,5β,6β,8α,9β,10α,12α,14R,15β)-1,5,6,15-Tetrahydroxyatis-16-ene-14,18-diyl diacetate

(1β,5β,6β,8α,9β,10α,12α,14R,15β)-1,5,6,15-Tetrahydroxyatis-16-ene-14,18-diyl diacetate

Common Name: (1β,5β,6β,8α,9β,10α,12α,14R,15β)-1,5,6,15-Tetrahydroxyatis-16-ene-14,18-diyl diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O8/c1-12-15-8-16-22(5)17(27)6-7-21(4,11-31-13(2)25)24(22,30)18(28)10-23(16,20(12)29)19(9-15)32-14(3)26/h15-20,27-30H,1,6-11H2,2-5H3/t15-,16+,17-,18-,19-,20-,21+,22-,23+,24+/m1/s1

InChIKey: InChIKey=LJSOKHNJDOHGBB-CGDMTWEMSA-N

Formula: C24H36O8

Molecular Weight: 452.538768

Exact Mass: 452.241018

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Perry, N., Burgess, E., Baek, S., Weavers, R. Org Lett (2001) 3, 4243-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) 71.8
2 (CH2) 24.9
3 (CH2) 27.8
4 (C) 42.7
5 (C) 79.8
6 (CH) 69.1
7 (CH2) 30.2
8 (C) 41.8
9 (CH) 28.4
10 (C) 44.3
11 (CH2) 27.5
12 (CH) 36
13 (CH2) 35.1
14 (CH) 69.8
15 (CH) 69.4
16 (C) 154.2
17 (CH2) 109.9
18 (CH3) 25.2
19 (CH2) 68.1
20 (CH3) 17.6
14a (C) 170.8
14b (CH3) 21.2
19a (C) 171.2
19b (CH3) 21