(1S,3Z,7S,11S,12S)-(–)-Verticilla-3,8(19)-dien-7,12,20-triol 7,20-diacetate

(1S,3Z,7S,11S,12S)-(–)-Verticilla-3,8(19)-dien-7,12,20-triol 7,20-diacetate

Common Name: (1S,3Z,7S,11S,12S)-(–)-Verticilla-3,8(19)-dien-7,12,20-triol 7,20-diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H38O5/c1-16-7-12-22-23(4,5)20(13-14-24(22,6)27)10-8-19(15-28-17(2)25)9-11-21(16)29-18(3)26/h8,20-22,27H,1,7,9-15H2,2-6H3/b19-8-/t20-,21+,22+,24+/m1/s1

InChIKey: InChIKey=CSYYBMVDBJIXFQ-KSPYAOPQSA-N

Formula: C24H38O5

Molecular Weight: 406.556435

Exact Mass: 406.271924

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Gutierrez, H.A., Cerda-Garcia-Rojas, C.M., Hernandez-Hernandez, J.D., Roman-Marin, L.U., Joseph-Nathan, P. Phytochemistry (2008) 69, 2844-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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) 43.2
2 (CH2) 33.7
3 (CH) 133.8
4 (C) 131.9
5 (CH2) 32.2
6 (CH2) 31.8
7 (CH) 75.9
8 (C) 148.9
9 (CH2) 34.4
10 (CH2) 25.9
11 (CH) 49.7
12 (C) 72.7
13 (CH2) 40.9
14 (CH2) 28.3
15 (C) 38.4
16 (CH3) 25.3
17 (CH3) 27.4
18 (CH3) 22.7
19 (CH2) 111.5
20 (CH2) 61.4
7a (C) 172.3
7b (CH3) 21.1
20a (C) 171.2
20b (CH3) 21