Feedback

acetyl aleuritolic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM102337

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₂H₅₀O₄

charge

mass

498.37091

reference

chebi:70418

InChIKey

UROPGAQBZGIPQC-VUHMTIHWSA-N

InChI

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

SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70418 chebi:70418	acetyl aleuritolic acid (4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2H)-carboxylic acid 3beta-acetoxyfriedoolean-14-ene-28-oic acid D-Friedoolean-14-en-28-oic acid, 3-(acetyloxy)-, (3beta)-