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Fasciculic acid A

Properties

Image

Occurences in reactions

MNX_ID

MNXM125615

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

formula

C₃₆H₆₀O₈

charge

mass

620.42882

reference

chebi:176252

InChIKey

VOAJMYUEWCGJID-VIEGMHJXSA-N

InChI

InChI=1S/C36H60O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,30,37,41-43H,10-20H2,1-9H3,(H,38,39)/t21-,22-,25-,26+,27-,30+,33?,34-,35-,36+/m1/s1

SMILES

C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)[C@H](O)C(C)(C)[C@@H]1CC3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176252 chebi:176252	Fasciculic acid A 5-[[(2R,3R,5R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
hmdb:HMDB0036439	Fasciculic acid A (+)-Fasciculic acid a 2-O-(3-Hydroxy-3-methylglutaryl)fasciculol a 5-{[14-(5,6-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoate 5-{[14-(5,6-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid Fasciculate a Fasciculic acid a
hmdb:HMDB36439	secondary/obsolete/fantasy identifier