28-Hydroxy Sipholenone A

28-Hydroxy Sipholenone A

Common Name: 28-Hydroxy Sipholenone A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O5/c1-26(2)20(19(18-31)8-9-22-21(26)12-16-29(22,6)33)10-11-23-28(5)15-13-24(32)27(3,4)35-25(28)14-17-30(23,7)34/h8,20-23,25,31,33-34H,9-18H2,1-7H3/t20-,21+,22+,23+,25+,28+,29+,30-/m0/s1

InChIKey: InChIKey=PGXVRJUUHWTBMQ-KOGSSWOMSA-N

Formula: C30H50O5

Molecular Weight: 490.716139

Exact Mass: 490.365825

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jain, S., Laphookhieo, S., Shi, Z., Fu, L.W., Akiyama, S., Chen, Z.S., Youssef, D.T., van Soest, R.W., El Sayed, K.A. J Nat Prod (2007) 70, 928-31

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sipholanes; 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 (C) 42.1
2 (CH2) 39.6
3 (CH2) 35
4 (C) 218.3
5 (C) 82.5
7 (CH) 81.1
8 (CH2) 26.4
9 (CH2) 38.9
10 (C) 72.1
11 (CH) 55.5
12 (CH2) 26.2
13 (CH2) 33.5
14 (CH) 45.9
15 (C) 149.6
16 (CH) 152.4
17 (CH2) 26.1
18 (CH) 47.1
19 (C) 82
20 (CH2) 37.2
21 (CH2) 24.8
22 (CH) 52.5
23 (C) 34.6
24 (CH3) 12.2
25 (CH3) 20.5
26 (CH3) 26.7
27 (CH3) 30.1
28 (CH2) 194.9
29 (CH3) 25.8
30 (CH3) 29.1
31 (CH3) 31.4