Structure Database (LMSD)
Common Name
Tumulosic acid
Systematic Name
3β,16α-dihydroxy-lanosta-8,24(28)-dien-21-oic acid
Synonyms
3D model of Tumulosic acid
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
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Polyporus tumulosus
(#2082149)
Agaricomycetes
(#155619)
The chemistry of fungi. Part XXIII. Tumulosic acid,
J Chem Soc, 1954
J Chem Soc, 1954
DOI:
10.1039/JR9540003713
String Representations
InChiKey (Click to copy)
XADJANKGURNTIA-YEXRKOARSA-N
InChi (Click to copy)
InChI=1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h18,20,23-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25+,26+,29-,30-,31+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@]13C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
4
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
522.66
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
7.33
Molar Refractivity
141.80
Admin
Created at
10th Jun 2022
Updated at
10th Jun 2022