CHEBI:175719 - Sebiferenic acid

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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 Sebiferenic acid
ChEBI ID CHEBI:175719
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O4
Net Charge 0
Average Mass 472.710
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)13-10-20-27(5)11-8-19-26(3,4)23(32)18(31)16-29(19,7)21(27)9-12-28(20,6)22(30)17-25/h10,18-19,21-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/t18-,19+,21+,22+,23+,27+,28-,29+,30-/m1/s1
InChIKey JMJVYEINATYJHM-KLXPJGLFSA-N
SMILES O[C@@H]1C([C@]2([C@@]([C@@]3([C@](C=4[C@]([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O)=O)[H])(CC3)C)(CC2)C)[H])(C[C@H]1O)C)[H])(C)C
ChEBI Ontology
Outgoing Sebiferenic acid (CHEBI:175719) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name
(4aS,6aR,6bR,8aR,10R,11R,12aR,14aS,14bS)-10,11-dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
Manual Xref Database
24693987 ChemSpider
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