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compound 0066843

PropertiesImage
MNX_IDMNXM1183180 Image of MNXM1183180
referenceenvipathM:...e8a10e7eedb7
formulaC40H56O6
global charge0
mol weight632.882
InChIKeyZYZWCLQAMCRHLH-QISQUURKSA-N
InChIInChI=1S/C40H56O6/c1-27(17-13-19-29(3)21-23-39(45)31(5)35(43)33(41)25-37(39,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-40(46)32(6)36(44)34(42)26-38(40,9)10/h11-24,31-34,41-42,45-46H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
SMILESCC(/C=C/C=C(C)/C=C/C1(O)C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1(O)C(C)C(=O)C(O)CC1(C)C
MNX internals
InChI (mnx)InChI=1/C40H56O6/c1-27(17-13-19-29(3)21-23-39(45)31(5)35(43)33(41)25-37(39,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-40(46)32(6)36(44)34(42)26-38(40,9)10/h11-24,31-34,41-42,45-46H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t31?,32?,33?,34?,39?,40? Image of MNXM1183180
SMILES (mnx)[CH3:1][C:27](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:28]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:30]([CH3:4])\[CH:22]=[CH:24]\[C:40]1([OH:46])[CH:32]([CH3:6])[C:36](=[O:44])[CH:34]([OH:42])[CH2:26][C:38]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:29]([CH3:3])/[CH:21]=[CH:23]/[C:39]1([OH:45])[CH:31]([CH3:5])[C:35](=[O:43])[CH:33]([OH:41])[CH2:25][C:37]1([CH3:7])[CH3:8]
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

envipath:...e8a10e7eedb7
envipathM:...e8a10e7eedb7
ZYZWCLQAMCRHLH-QISQUURKSA-N
compound 0066843