Compound Identification
SMILES
CC(C)(O)[C@H]1CC[C@](C)(O1)C1[C@@H](O)C[C@@]2(C)C3CCC4[C@]5(C[C@@]35CC[C@]12C)C[C@@H](Br)C(=O)C4(C)C
InChIKey
InChIKey=PJODGMQVMSZZCF-BKKSYPFQSA-N
Formula
C30H47BrO4
Mass
551.606
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene glycosides
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Level 5
Triterpene glycosides
- Level 6 Triterpene saponins
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Level 5
Triterpene glycosides
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Subclass
Terpene glycosides
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene glycosides
Intermediate Tree Nodes
Triterpene glycosides
Direct Parent
Triterpene saponins
Alternative Parents
Triterpenoids Cycloartanols and derivatives 16-beta-hydroxysteroids 3-oxosteroids Halogenated steroids Tetrahydrofurans Tertiary alcohols Alpha-haloketones Secondary alcohols Cyclic alcohols and derivatives Cyclic ketones Oxacyclic compounds Dialkyl ethers Alkyl bromides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Triterpenoid - 3-oxosteroid - 2-halo-steroid - 16-hydroxysteroid - 16-beta-hydroxysteroid - Halo-steroid - Hydroxysteroid - Oxosteroid - Steroid - Cyclic alcohol - Alpha-haloketone - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Ketone - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Alkyl bromide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alkyl halide - Organooxygen compound - Organohalogen compound - Organobromide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
External Descriptors
Not available