EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181208 - Dihydrocelastryl diacetate

ChEBI IDCHEBI:181208
ChEBI NameDihydrocelastryl diacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44O6
Net Charge0
Average Mass536.709
Monoisotopic Mass536.31379
SMILESCC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]2(C)CC[C@@]2(C)C3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C
InChIInChI=1S/C33H44O6/c1-19-22-9-10-25-31(6,23(22)17-24(38-20(2)34)27(19)39-21(3)35)14-16-33(8)26-18-30(5,28(36)37)12-11-29(26,4)13-15-32(25,33)7/h10,17,26H,9,11-16,18H2,1-8H3,(H,36,37)/t26?,29-,30-,31+,32-,33+/m1/s1
InChIKeySAOOBRUHTPONGX-UANCAJPASA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Dihydrocelastryl diacetate (CHEBI:181208) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(2R,4aS,6aS,6aS,14aS)-10,11-diacetyloxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid
Manual XrefsDatabases
5140867ChemSpider