CHEBI:207176 - 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
ChEBI ID CHEBI:207176
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H58O
Net Charge 0
Average Mass 494.848
Monoisotopic Mass 494.44877
InChI InChI=1S/C35H58O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10,14,25,27-30,36H,9,11-13,15-23H2,1-8H3
InChIKey XKBZJGQFALBSTF-UHFFFAOYSA-N
SMILES OC1(C(C2(C(C3(C(C4(C(C(CCC4)(C)C)CC3)C)CC2)C)CC1)C)CCC(C5=CCC(C)=CC5)C)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol (CHEBI:207176) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name
2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
Manual Xref Database
78444130 ChemSpider
View more database links