Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H62O5/c1-26(12-17-31-28(3)14-19-33-37(31,5)21-9-23-39(33,7)35(42)43)11-16-30(25-41)27(2)13-18-32-29(4)15-20-34-38(32,6)22-10-24-40(34,8)36(44)45/h16,25-27,31-34H,3-4,9-15,17-24H2,1-2,5-8H3,(H,42,43)(H,44,45)/b30-16+/t26-,27+,31+,32-,33?,34+,37-,38+,39+,40-/m0/s1

InChIKey: InChIKey=ZDANNBYRXLXFSO-YAFNQFTQSA-N

Formula: C40H62O5

Molecular Weight: 622.918787

Exact Mass: 622.459725

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nagashima, F., Momosaki, S., Watanabe, Y., Toyota, M., Huneck, S. Phytochemistry (1996) 41, 207-11

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 (CH2) 39.2
2 (CH2) 19.9
3 (CH2) 38
4 (C) 44.2
5 (CH) 56.4
6 (CH2) 26
7 (CH2) 38.7
8 (C) 148.2
9 (CH) 56.1
10 (C) 40.6
11 (CH2) 22.4
12 (CH2) 36
13 (CH) 32.3
14 (C) 147.3
15 (CH) 195.6
16 (CH3) 18.9
17 (CH2) 106.3
18 (CH3) 29
19 (C) 183.8
20 (CH3) 12.8
1' (CH2) 39.2
2' (CH2) 19.9
3' (CH2) 38
4' (C) 44.2
5' (CH) 56.5
6' (CH2) 26
7' (CH2) 38.7
8' (C) 147.8
9' (CH) 56.4
10' (C) 40.4
11' (CH2) 21.5
12' (CH2) 36.4
13' (CH) 34.1
14' (CH2) 33.2
15' (CH) 155.3
16' (CH3) 20.1
17' (CH2) 106.7
18' (CH3) 29
19' (C) 183.8
20' (CH3) 12.8