12a-Acetoxy-19b-hydroxyscalara-15,17-dien-20,19-olide

12a-Acetoxy-19b-hydroxyscalara-15,17-dien-20,19-olide

Common Name: 12a-Acetoxy-19b-hydroxyscalara-15,17-dien-20,19-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H38O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8-9,17-20,23,30H,7,10-14H2,1-6H3/t17-,18-,19+,20-,23-,25-,26-,27+/m0/s1

InChIKey: InChIKey=BJBGDHNOBUEPQV-HDRSVQBTSA-N

Formula: C27H38O5

Molecular Weight: 442.588643

Exact Mass: 442.271924

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lu, Q., Faulkner, D.J. J Nat Prod (1997) 60, 195-8

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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 (CH2) 39.8
2 (CH2) 18.4
3 (CH2) 41.9
4 (C) 33.6
5 (CH) 56.7
6 (CH2) 17.7
7 (CH2) 40.8
8 (C) 37.4
9 (CH) 51.9
10 (C) 36.8
11 (CH2) 21.6
12 (CH) 73.7
13 (C) 41.9
14 (CH) 53.1
15 (CH) 132.8
16 (CH) 117.2
17 (C) 127.3
18 (C) 162.2
19 (CH) 96.9
20 (C) 168.8
21 (CH3) 33.2
22 (CH3) 21.3
23 (CH3) 15.8
24 (CH3) 18.9
25 (CH3) 16.4
12a (C) 170.4
12b (CH3) 21.5