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colossolactone VIII

Properties

Image

Occurences in reactions

MNX_ID

MNXM103982

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

formula

C₃₂H₄₂O₇

charge

mass

538.29305

reference

chebi:65651

InChIKey

XNFBOJFRJTXMJL-OZXCYFAESA-N

InChI

InChI=1S/C32H42O7/c1-17-14-25(34)28(38-29(17)36)18(2)24-16-26(37-19(3)33)32(7)23-10-9-22-20(8-11-27(35)39-30(22,4)5)15-21(23)12-13-31(24,32)6/h8,11,14-15,18,22,24-26,28,34H,9-10,12-13,16H2,1-7H3/t18-,22+,24+,25+,26+,28-,31+,32+/m0/s1

SMILES

CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]2OC(=O)C(C)=C[C@H]2O)[C@@]2(C)CCC3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65651 chebi:65651	colossolactone VIII (1R,3R,3aR,11aR,13bR)-3-{(1S)-1-[(2S,3R)-3-hydroxy-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3a,11,11,13b-tetramethyl-9-oxo-1,2,3,3a,4,5,9,11,11a,12,13,13b-dodecahydroindeno[5',4':4,5]cyclohepta[1,2-c]oxepin-1-yl acetate (22S, 23R)-A,B-dihomo-19-nor-15-beta-acetoxy-23-hydroxy-4-oxa-3-oxolanosta-1,8,19,24-tetraen-26,22-olide