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7-methoxydeoxymorellin

PropertiesImage
MNX_IDMNXM102183 Image of MNXM102183
referencechebi:66704
formulaC34H40O7
global charge0
mol weight560.687
InChIKeyUSLTUZOWPRBQKK-CKBKNJJASA-N
InChIInChI=1S/C34H40O7/c1-18(2)10-11-21-27-20(13-14-30(5,6)39-27)25(35)24-26(36)22-16-32(38-9)17-23-31(7,8)41-33(29(32)37,15-12-19(3)4)34(22,23)40-28(21)24/h10,12-14,16,23,35H,11,15,17H2,1-9H3/t23-,32-,33-,34+/m0/s1
SMILESCO[C@@]12C=C3C(=O)C4=C(O[C@@]35C(C1)C(C)(C)O[C@@]5(CC=C(C)C)C2=O)C(CC=C(C)C)=C1OC(C)(C)C=CC1=C4O
MNX internals
InChI (mnx)InChI=1/C34H40O7/c1-18(2)10-11-21-27-20(13-14-30(5,6)39-27)25(35)24-26(36)22-16-32(38-9)17-23-31(7,8)41-33(29(32)37,15-12-19(3)4)34(22,23)40-28(21)24/h10,12-14,16,23,35H,11,15,17H2,1-9H3/t23-,32-,33-,34+/m0/s1 Image of MNXM102183
SMILES (mnx)[CH3:1][C:18]([CH3:2])=[CH:10][CH2:11][C:21]1=[C:28]2[C:24](=[C:25]([OH:35])[C:20]3=[C:27]1[O:39][C:30]([CH3:5])([CH3:6])[CH:14]=[CH:13]3)[C:26](=[O:36])[C:22]1=[CH:16][C@:32]3([O:38][CH3:9])[CH2:17][C@H:23]4[C:31]([CH3:7])([CH3:8])[O:41][C@@:33]([CH2:15][CH:12]=[C:19]([CH3:3])[CH3:4])([C:29]3=[O:37])[C@@:34]14[O:40]2
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:66704
chebi:66704
USLTUZOWPRBQKK-CKBKNJJASA-N
7-methoxydeoxymorellin
(1R,3aS,5R,14aS)-8-hydroxy-5-methoxy-3,3,11,11-tetramethyl-1,13-bis(3-methylbut-2-en-1-yl)-3,3a,4,5-tetrahydro-7H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthene-7,15-dione