Calcicolin-C

Calcicolin-C

Common Name: Calcicolin-C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H42O8/c1-9-16(3)23(32)20-12-11-18(5)29(8)25(20)28(7,19(6)24(33)26(29)34)13-21(38-27(35)17(4)10-2)30(36)14-22(31)37-15-30/h10,16,20-21,25-26,34,36H,5-6,9,11-15H2,1-4,7-8H3/b17-10+/t16?,20-,21?,25+,26-,28-,29-,30?/m0/s1

InChIKey: InChIKey=VVTULXPHQCXXAG-RYCSQZPASA-N

Formula: C30H42O8

Molecular Weight: 530.650828

Exact Mass: 530.287968

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rasikari, H.L., Leach, D.N., Waterman, P.G., Spooner-Hart, R.N., Basta, A.H., Banbury, L.K., Winter, K.M., Forster, P.I. Phytochemistry (2005) 66, 2844-50

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 72.6
2 (CH2) 34.9
3 (CH2) 30.7
4 (C) 150.8
5 (C) 46.8
6 (CH) 78.2
7 (C) 200.5
8 (C) 149.2
9 (C) 42.4
10 (CH) 48
11 (CH2) 43.9
12 (CH) 74
13 (C) 79.5
14 (CH2) 39.1
15 (C) 174.4
16 (CH2) 75.6
17 (CH2) 109.6
18 (CH3) 29.9
19 (CH2) 128.2
20 (CH3) 14.4
1a (C) 175.9
1b (CH) 42
1c (CH2) 27.2
1d (CH3) 16.5
1ba (CH3) 11.8
12a (C) 167.9
12b (C) 128.1
12c (CH) 140.6
12d (CH3) 12.3
12ba (CH3) 14.8