(1S,3R,4E,8S,9S,12S,13E)-1,5,9-Trimethyl-3-acetoxy-8,9-(1-oxa-3-thia-2-imino-1,3-propanediyl)-12-isopropylcyclotetradeca-4,13-diene-1-ol

(1S,3R,4E,8S,9S,12S,13E)-1,5,9-Trimethyl-3-acetoxy-8,9-(1-oxa-3-thia-2-imino-1,3-propanediyl)-12-isopropylcyclotetradeca-4,13-diene-1-ol

Common Name: (1S,3R,4E,8S,9S,12S,13E)-1,5,9-Trimethyl-3-acetoxy-8,9-(1-oxa-3-thia-2-imino-1,3-propanediyl)-12-isopropylcyclotetradeca-4,13-diene-1-ol

Synonyms: (1S,3R,4E,8S,9S,12S,13E)-1,5,9-Trimethyl-3-acetoxy-8,9-(1-oxa-3-thia-2-imino-1,3-propanediyl)-12-isopropylcyclotetradeca-4,13-diene-1-ol

CAS Registry Number:

InChI: InChI=1S/C23H37NO4S/c1-15(2)18-9-11-22(5,26)14-19(27-17(4)25)13-16(3)7-8-20-23(6,12-10-18)29-21(24)28-20/h9,11,13,15,18-20,24,26H,7-8,10,12,14H2,1-6H3/b11-9+,16-13+,24-21?/t18-,19-,20-,22+,23-/m0/s1

InChIKey: InChIKey=DETHKBIMUIMKST-CQNCRFBESA-N

Formula: C23H37N1O4S1

Molecular Weight: 423.611181

Exact Mass: 423.244329

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - El Sayed, K.A., Laphookhieo, S., Yousaf, M., Prestridge, J.A., Shirode, A.B., Wali, V.B., Sylvester, P.W. J Nat Prod (2008) 71, 117-22

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) 50.4
2 (CH) 128.4
3 (CH) 140.1
4 (C) 72.5
5 (CH2) 46.6
6 (CH) 70.1
7 (CH) 123.5
8 (C) 139.7
9 (CH2) 34.6
10 (CH2) 25.9
11 (CH) 91.4
12 (C) 64
13 (CH2) 33.8
14 (CH2) 27.3
15 (CH) 32.8
16 (CH3) 19.4
17 (CH3) 21
18 (CH3) 32
19 (CH3) 15.9
20 (CH3) 25.4
21 (C) 187.5
6a (C) 169.3
6b (CH3) 21.3