Serratane-3a,14a,15a,20b,21b,24,29-heptol

Serratane-3a,14a,15a,20b,21b,24,29-heptol

Common Name: Serratane-3a,14a,15a,20b,21b,24,29-heptol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H52O7/c1-25-10-8-19-26(2,11-9-22(34)28(19,4)15-31)18(25)6-7-20-27(3)13-17(33)24(36)29(5,16-32)21(27)12-23(35)30(20,37)14-25/h17-24,31-37H,6-16H2,1-5H3/t17-,18+,19-,20-,21-,22-,23+,24-,25+,26-,27-,28-,29-,30-/m1/s1

InChIKey: InChIKey=OQJDVIOLWZVSDV-VAEUMROLSA-N

Formula: C30H52O7

Molecular Weight: 524.730831

Exact Mass: 524.371304

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yan, J., Yi, P., Chen, B., Lu, L., Li, Z., Zhang, X., Zhou, L., Qiu, M. Phytochemistry (2008) 69, 506-10

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) 34.2
2 (CH2) 26.7
3 (CH) 70.2
4 (C) 44.2
5 (CH) 50.3
6 (CH2) 19.6
7 (CH2) 45.3
8 (C) 38.2
9 (CH) 59.6
10 (C) 38.7
11 (CH2) 25.8
12 (CH2) 26.7
13 (CH) 59.9
14 (C) 77.9
15 (CH) 76.8
16 (CH2) 28.2
17 (CH) 46.5
18 (C) 40.2
19 (CH2) 43.1
20 (CH) 66.5
21 (CH) 74.3
22 (C) 45.1
23 (CH3) 23.4
24 (CH2) 65.8
25 (CH3) 17.2
26 (CH3) 23.3
27 (CH2) 54.7
28 (CH3) 18.1
29 (CH2) 65.8
30 (CH3) 23.6