Compound Identification
SMILES
[H][C@](C)(NC)[C@@]1([H])CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])C(CC[C@@]([H])(N(C)C)C4(C)C)=CC3=CC[C@]12C
InChIKey
InChIKey=ZKQCFKWMWXFCIU-CUQLHPEISA-N
Formula
C27H46N2
Mass
398.679
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal alkaloids
- Level 5 Buxus alkaloids
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Subclass
Steroidal alkaloids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroidal alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Buxus alkaloids
Alternative Parents
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Abeo-9(10->19)-4,4-14(alpha)-trimethyl-5(alpha)-pregnane-skeleton - Diterpenoid - Abeoabietane diterpenoid - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as buxus alkaloids. These are alkaloids with a triterpenoid-steroid pregnane type structure with C-4 methyl groups, a 9beta,10beta-cycloartenol system, and a degraded C-20 side chain. Structurally, they are derivatives of either a 9beta,10beta-cyclo-4,4,14alpha-trimethyl-5alpha-pregnane or a 9(10->19)abeo 4,4,14alpha-trimethyl-5alpha-pregnane system.
External Descriptors
Not available