(3S,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-Acetoxy-3-isopropyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13b-octadecahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid

(3S,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-Acetoxy-3-isopropyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13b-octadecahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid

Common Name: (3S,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-Acetoxy-3-isopropyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13b-octadecahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H50O4/c1-19(2)21-9-10-23-22-11-12-25-29(6)15-14-26(36-20(3)33)28(4,5)24(29)13-16-31(25,8)30(22,7)17-18-32(21,23)27(34)35/h11,19,21,23-26H,9-10,12-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,26+,29-,30+,31+,32+/m0/s1

InChIKey: InChIKey=BEXFSFAANNDQNF-DLLQFEHZSA-N

Formula: C32H50O4

Molecular Weight: 498.738206

Exact Mass: 498.37091

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmed, B., Al-Howiriny, T.A., Mossa, J.S. Phytochemistry (2006) 67, 956-64

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) 24.1
2 (CH2) 23.2
3 (CH) 80.1
4 (C) 36.8
5 (CH) 55.5
6 (CH2) 30.9
7 (CH2) 32.9
8 (C) 39.5
9 (CH) 52.5
10 (C) 47.5
11 (CH2) 18.1
12 (CH) 122.6
13 (C) 139.1
14 (C) 42.1
15 (CH2) 36.9
16 (CH2) 37.8
17 (C) 38.2
18 (CH) 47.1
19 (CH2) 23.8
20 (CH2) 28
21 (CH) 39.1
22 (CH) 28.5
23 (CH3) 28.1
24 (CH3) 15.5
25 (CH3) 21.2
26 (CH3) 15.8
27 (CH3) 23.9
28 (C) 183.1
29 (CH3) 16.9
30 (CH3) 17.1
3a (C) 171.1
3b (CH3) 20.9