Feedback

withalongolide F

Properties

Image

Occurences in reactions

MNX_ID

MNXM113937

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

formula

C₂₇H₃₆O₄

charge

mass

424.26136

reference

chebi:69111

InChIKey

IBYXDWNHLOGYIN-OSVRZWSTSA-N

InChI

InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1

SMILES

CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:69111 chebi:69111	withalongolide F (6R)-6-{(1S)-1-[(1R,3aS,3bS,8aR,8bS,10aS)-8a,10a-dimethyl-8-oxo-1,2,3,3a,3b,4,8,8a,8b,9,10,10a-dodecahydrodicyclopenta[a,f]naphthalen-1-yl]ethyl}-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one nor-27-hydroxy-1-oxowitha-2,5,24-trienolide