Structure Database (LMSD)
Common Name
9(11)-Dehydroglycyrrhetic acid
Systematic Name
3β-Hydroxy-9(11),12-oleandien-30-oic acid
Synonyms
3D model of 9(11)-Dehydroglycyrrhetic 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
String Representations
InChiKey (Click to copy)
DPWVNICGMWYCAP-KVIBWAOPSA-N
InChi (Click to copy)
InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23-,26+,27-,28-,29+,30+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C3=CC=C4[C@]5([H])C[C@](C(O)=O)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
5
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
484.21
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
7.44
Molar Refractivity
133.17
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Created at
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Updated at
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