(4aS,6bR,8aR,10S,12aS,12bR,12cS,13aR,13bS,13cS)-10-Hydroxy-2,2,6b,9,9,12a,13b-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,12c,13a,13b,13c-octadecahydropiceno[13,14-b]oxirene-4a(2H)-carboxylic aci d

(4aS,6bR,8aR,10S,12aS,12bR,12cS,13aR,13bS,13cS)-10-Hydroxy-2,2,6b,9,9,12a,13b-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,12c,13a,13b,13c-octadecahydropiceno[13,14-b]oxirene-4a(2H)-carboxylic aci d

Common Name: (4aS,6bR,8aR,10S,12aS,12bR,12cS,13aR,13bS,13cS)-10-Hydroxy-2,2,6b,9,9,12a,13b-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,12c,13a,13b,13c-octadecahydropiceno[13,14-b]oxirene-4a(2H)-carboxylic aci d

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H46O4/c1-25(2)14-15-30(24(32)33)13-9-18-28(6)11-8-17-26(3,4)20(31)10-12-27(17,5)22(28)21-23(34-21)29(18,7)19(30)16-25/h9,17,19-23,31H,8,10-16H2,1-7H3,(H,32,33)/t17-,19-,20-,21-,22+,23-,27-,28-,29+,30+/m0/s1

InChIKey: InChIKey=DCSOSRBBKAIOTD-SCORLBCFSA-N

Formula: C30H46O4

Molecular Weight: 470.684971

Exact Mass: 470.33961

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kuroda, M., Aoshima, T., Haraguchi, M., Young, M.C., Sakagami, H., Mimaki, Y. J Nat Prod (2006) 69, 1606-10

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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 (CH2) 27.8
3 (CH) 78.1
4 (C) 39.2
5 (CH) 55
6 (CH2) 19.2
7 (CH2) 40.5
8 (C) 39.3
9 (CH) 54.2
10 (C) 37
11 (CH) 52
12 (CH) 58.7
13 (C) 37.8
14 (C) 160.1
15 (CH) 118.5
16 (CH2) 33.3
17 (C) 50.8
18 (CH) 41.8
19 (CH2) 35.8
20 (C) 29.3
21 (CH2) 34.4
22 (CH2) 31.6
23 (CH3) 28.5
24 (CH3) 16.3
25 (CH3) 17.1
26 (CH3) 27.3
27 (CH3) 20.9
28 (C) 179.9
29 (CH3) 32.5
30 (CH3) 29.5