3β,6β-dihydroxy-11α,12α-epoxyolean-28,13β-olide

3β,6β-dihydroxy-11α,12α-epoxyolean-28,13β-olide

Common Name: 3β,6β-dihydroxy-11α,12α-epoxyolean-28,13β-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H46O5/c1-24(2)10-12-29-13-11-28(7)27(6)14-16(31)20-25(3,4)18(32)8-9-26(20,5)21(27)19-22(34-19)30(28,17(29)15-24)35-23(29)33/h16-22,31-32H,8-15H2,1-7H3/t16-,17-,18+,19+,20+,21-,22+,26+,27-,28+,29+,30-/m1/s1

InChIKey: InChIKey=JKOAMUFXXOUTGI-IVOHIXCDSA-N

Formula: C30H46O5

Molecular Weight: 486.684376

Exact Mass: 486.334525

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Wang, F., Hua, H., Pei, Y., Chen, D., Jing, Y. J Nat Prod (2006) 69, 807-10

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) 28
3 (CH) 78.6
4 (C) 40.6
5 (CH) 56.1
6 (CH) 67.5
7 (CH2) 40.8
8 (C) 41.2
9 (CH) 52
10 (C) 36.6
11 (CH) 53.1
12 (CH) 57.5
13 (C) 87.7
14 (C) 41.3
15 (CH2) 27.1
16 (CH2) 21.7
17 (C) 44.1
18 (CH) 49.9
19 (CH2) 38.2
20 (C) 31.5
21 (CH2) 34.5
22 (CH2) 27.7
23 (CH3) 28
24 (CH3) 17.6
25 (CH3) 19
26 (CH3) 21.3
27 (CH3) 19.1
28 (C) 179
29 (CH3) 33.1
30 (CH3) 23.5