Structure Database (LMSD)
Common Name
6beta-Hydroxyasiatic acid
Systematic Name
(4R)-2α,3β,6β,23-Tetrahydroxyurs-12-en-28-oic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 6beta-Hydroxyasiatic 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)
PRAUVHZJPXOEIF-VGKQSNDQSA-N
InChi (Click to copy)
InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21?,22+,23?,24+,26-,27+,28-,29-,30+/m1/s1
SMILES (Click to copy)
C1[C@@]2(C)C([C@H](O)C[C@]3(C)C2CC=C2[C@@]3(C)CC[C@]3(C(=O)O)[C@@]2([H])[C@@H](C)[C@H](C)CC3)[C@](C)(CO)[C@@H](O)[C@@H]1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
5
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
513.22
Topological Polar Surface Area
118.22
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
5.15
Molar Refractivity
138.83
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Created at
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Updated at
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