CHEBI:175449 - 3beta-Tirucalla-7,24-dien-3-ol

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ChEBI Name 3beta-Tirucalla-7,24-dien-3-ol
ChEBI ID CHEBI:175449
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.729
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3
InChIKey DICCPNLDOZNSML-UHFFFAOYSA-N
SMILES OC1C(C2C(C3C(C4(C(C(CC4)C(CCC=C(C)C)C)(CC3)C)C)=CC2)(CC1)C)(C)C
ChEBI Ontology
Outgoing 3beta-Tirucalla-7,24-dien-3-ol (CHEBI:175449) is a triterpenoid (CHEBI:36615)
IUPAC Name
4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
26516397 ChemSpider
HMDB0034929 HMDB
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