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ananolignan M

PropertiesImage
MNX_IDMNXM102734 Image of MNXM102734
referencechebi:67450
formulaC32H40O10
global charge0
mol weight584.662
InChIKeyBEKCLGHIGPWWEG-KDTPNPLXSA-N
InChIInChI=1S/C32H40O10/c1-11-16(4)32(34)42-26-18(6)17(5)25(41-31(33)15(2)3)20-13-22-28(40-14-39-22)30(38-10)24(20)23-19(26)12-21(35-7)27(36-8)29(23)37-9/h11-13,15,17-18,25-26H,14H2,1-10H3/b16-11-/t17-,18+,25-,26-/m1/s1
SMILESC/C=C(/C)C(=O)O[C@H]1C2=C(C(OC)=C(OC)C(OC)=C2)C2=C(C=C3OCOC3=C2OC)[C@H](OC(=O)C(C)C)[C@H](C)[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C32H40O10/c1-11-16(4)32(34)42-26-18(6)17(5)25(41-31(33)15(2)3)20-13-22-28(40-14-39-22)30(38-10)24(20)23-19(26)12-21(35-7)27(36-8)29(23)37-9/h11-13,15,17-18,25-26H,14H2,1-10H3/b16-11-/t17-,18+,25-,26-/m1/s1 Image of MNXM102734
SMILES (mnx)[CH3:1]/[CH:11]=[C:16](/[CH3:4])[C:32](=[O:34])[O:42][C@@H:26]1[C@@H:18]([CH3:6])[C@@H:17]([CH3:5])[C@@H:25]([O:41][C:31]([CH:15]([CH3:2])[CH3:3])=[O:33])[C:20]2=[C:24]([C:23]3=[C:29]([O:37][CH3:9])[C:27]([O:36][CH3:8])=[C:21]([O:35][CH3:7])[CH:12]=[C:19]31)[C:30]([O:38][CH3:10])=[C:28]1[C:22](=[CH:13]2)[O:39][CH2:14][O:40]1
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:67450
chebi:67450
BEKCLGHIGPWWEG-KDTPNPLXSA-N
ananolignan M
(5R,6S,7R,8R)-8-(isobutyryloxy)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2Z)-2-methylbut-2-enoate