Search MNXref
 Feedback

1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene

PropertiesImage
MNX_IDMNXM115716 Image of MNXM115716
referencehmdb:HMDB0029854
formulaC40H64O
global charge0
mol weight560.951
InChIKeyDAYCXLCMSBTHAA-RVWKVOMOSA-N
InChIInChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,19-20,22,24-26,29,32,39H,13,15-18,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+
SMILESCC(/C=C\C=C(/C)CC/C=C(\C)CCCC(C)C)=C/C=C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C
MNX internals
InChI (mnx)InChI=1/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,19-20,22,24-26,29,32,39H,13,15-18,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+/t39? Image of MNXM115716
SMILES (mnx)[CH3:1][CH:32]([CH3:2])[CH2:18][CH2:13][CH2:21]/[C:35]([CH3:5])=[CH:24]/[CH2:16][CH2:27]/[C:36]([CH3:6])=[CH:25]/[CH:14]=[CH:22]\[C:33]([CH3:3])=[CH:19]/[CH:11]=[CH:12]/[CH:20]=[C:34](/[CH3:4])[CH2:23][CH2:15]/[CH:26]=[C:37](\[CH3:7])[CH2:28][CH2:17]/[CH:29]=[C:38](\[CH3:8])[CH2:30][CH2:31][CH:39]1[C:40]([CH3:9])([CH3:10])[O:41]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
hmdb:HMDB0029854
DAYCXLCMSBTHAA-RVWKVOMOSA-N
1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene
1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-y,y-carotene
3-[(3E,7E,11Z,13E,15Z,17Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,17,19,23-octaen-1-yl]-2,2-dimethyloxirane

hmdb:HMDB29854
secondary/obsolete/fantasy identifier