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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O7/c1-13-10-23-11-19(28)24(29)21(4,12-30-14(2)25)7-6-18(27)22(24,5)17(23)8-16(13)9-20(23)31-15(3)26/h16-20,27-29H,1,6-12H2,2-5H3/t16-,17+,18-,19-,20-,21+,22-,23-,24+/m1/s1

InChIKey: InChIKey=FCZMTQMONRFJOT-ISKDDFRLSA-N

Formula: C24H36O7

Molecular Weight: 436.539363

Exact Mass: 436.246104

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) 71.6
2 (CH2) 25.1
3 (CH2) 28
4 (C) 42.7
5 (C) 79.7
6 (CH) 69.3
7 (CH2) 36.7
8 (C) 36.7
9 (CH) 37.3
10 (C) 44.6
11 (CH2) 27.5
12 (CH) 36.1
13 (CH2) 36.1
14 (CH) 69.9
15 (CH2) 40.1
16 (C) 149.6
17 (CH2) 105.7
18 (CH3) 25.6
19 (CH2) 68.6
20 (CH3) 17.6
14a (C) 171.1
14b (CH3) 21.3
19a (C) 171
19b (CH3) 21