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CHEBI:180975 - Bridgesigenin A

Default Structure
ChEBI IDCHEBI:180975
ChEBI NameBridgesigenin A
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SubmitterMetaboLights
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FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILES[H][C@@]12C[C@]3(C[C@H](O)[C@](C)(CO)C[C@@]3([H])C3=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@@]31C)C(=O)O2
InChIInChI=1S/C30H46O5/c1-25(2)19-9-12-28(5)20(27(19,4)11-10-21(25)32)8-7-17-18-13-26(3,16-31)22(33)14-30(18)15-23(29(17,28)6)35-24(30)34/h7,18-23,31-33H,8-16H2,1-6H3/t18-,19?,20?,21-,22-,23+,26-,27-,28+,29-,30-/m0/s1
InChIKeyMINFCKXAWKNBAP-YYEGAHHQSA-N
ChEBI Ontology
Outgoing Relation(s)
Bridgesigenin A (CHEBI:180975) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,3S,4S,6S,11R,14S,19R,20S,21R)-3,14-dihydroxy-4-(hydroxymethyl)-4,11,15,15,19,20-hexamethyl-22-oxahexacyclo[19.2.1.01,6.07,20.010,19.011,16]tetracos-7-en-23-one
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