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BF 5

PropertiesImage
MNX_IDMNXM103195 Image of MNXM103195
referencechebi:65489
formulaC30H32O6
global charge0
mol weight488.58
InChIKeyNJQFCQXFOHVYQJ-VQTJNVASSA-N
InChIInChI=1S/C30H32O6/c1-14(2)20-22-25(36-26-16(4)29(34-7)30(5,6)28(33)23(20)26)15(3)24(32)21-18(31)13-19(35-27(21)22)17-11-9-8-10-12-17/h8-12,14,19-20,32H,13H2,1-7H3/t19-,20+/m0/s1
SMILESCOC1=C(C)C2=C(C(=O)C1(C)C)[C@H](C(C)C)C1=C(O2)C(C)=C(O)C2=C1O[C@H](C1=CC=CC=C1)CC2=O
MNX internals
InChI (mnx)InChI=1/C30H32O6/c1-14(2)20-22-25(36-26-16(4)29(34-7)30(5,6)28(33)23(20)26)15(3)24(32)21-18(31)13-19(35-27(21)22)17-11-9-8-10-12-17/h8-12,14,19-20,32H,13H2,1-7H3/t19-,20+/m0/s1 Image of MNXM103195
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[C@@H:20]1[C:22]2=[C:25]([C:15]([CH3:3])=[C:24]([OH:32])[C:21]3=[C:27]2[O:35][C@H:19]([C:17]2=[CH:11][CH:9]=[CH:8][CH:10]=[CH:12]2)[CH2:13][C:18]3=[O:31])[O:36][C:26]2=[C:23]1[C:28](=[O:33])[C:30]([CH3:5])([CH3:6])[C:29]([O:34][CH3:7])=[C:16]2[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65489
chebi:65489
NJQFCQXFOHVYQJ-VQTJNVASSA-N 		BF 5
(2S,12R)-5-hydroxy-9-methoxy-6,8,10,10-tetramethyl-2-phenyl-12-(propan-2-yl)-2,3,10,12-tetrahydro-4H,11H-pyrano[2,3-a]xanthene-4,11-dione
Baeckea frutescens 5