Structure Database (LMSD)
Common Name
Endertiin A
Systematic Name
3,11-dioxo-5α-lanosta-8,24E-dien-26-al
Synonyms
LM ID
LMST01010404
Formula
Exact Mass
Calculate m/z
452.329045
Sum Composition
Status
Active
3D model of Endertiin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Humphreya endertii
(#2064963)
Agaricomycetes
(#155619)
Endertiins A-B, two lanostane triterpenoids from the fruit bodies of the mushoom Humphreya endertii.,
Nat Prod Res, 2020
Nat Prod Res, 2020
Pubmed ID:
32744110
String Representations
InChiKey (Click to copy)
ZROQCPFOIGVEOJ-XKPQIJIDSA-N
InChi (Click to copy)
InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,18,20-21,24H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,28+,29+,30-/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)C(=O)C[C@]1(C)[C@@]([H])([C@H](C)CC/C=C(/C=O)\C)CC[C@]13C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
491.29
Topological Polar Surface Area
51.21
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
7.05
Molar Refractivity
132.66
Admin
Created at
4th Aug 2020
Updated at
4th Aug 2020