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kadsuphilactone B

Properties

Image

Occurences in reactions

MNX_ID

MNXM105918

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

formula

C₃₀H₄₂O₅

charge

mass

482.30322

reference

chebi:66130

InChIKey

FSLAFDXATUXTAG-JHKRTFPPSA-N

InChI

InChI=1S/C30H42O5/c1-18-7-10-22(34-24(18)32)28(6,33)20-11-13-26(4)21-9-8-19-25(2,3)35-23(31)12-14-29(19)17-30(21,29)16-15-27(20,26)5/h7,12,14,19-22,33H,8-11,13,15-17H2,1-6H3/t19-,20-,21-,22+,26-,27+,28+,29+,30-/m0/s1

SMILES

CC1=CC[C@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66130 chebi:66130	kadsuphilactone B (1S,3aS,3bS,5aR,10aS,11aS,13aR)-1-{(1R)-1-hydroxy-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3a,6,6,13a-tetramethyl-1,2,3,3a,3b,4,5,5a,6,12,13,13a-dodecahydro-8H-cyclopenta[5,6]cyclopropa[1,8a]naphtho[2,1-c]oxepin-8-one