Structure Database (LMSD)
Common Name
(-)-Helvolic acid
Systematic Name
(-)-6β,16β-diacetoxy-3,7-dioxofusida-17(20)Z,24-diene-21-oic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
BDLPFMCATMEQHF-JBKKMLQISA-N
InChi (Click to copy)
InChI=1S/C34H48O7/c1-18(2)10-9-11-22(31(39)40)28-24-12-13-27-32(6)15-14-25(37)20(4)29(32)23(16-19(3)35)30(38)34(27,8)33(24,7)17-26(28)41-21(5)36/h10,20,23-24,26-27,29H,9,11-17H2,1-8H3,(H,39,40)/b28-22-/t20-,23+,24+,26+,27+,29-,32-,33+,34-/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@]3([H])CC[C@@]4([H])/C(=C(\CC/C=C(\C)/C)/C(=O)O)/[C@@H](OC(C)=O)C[C@]4(C)[C@@]3(C)C(=O)[C@@H](CC(=O)C)[C@@]2([H])[C@H](C)C1=O
References
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
4
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
590.37
Topological Polar Surface Area
114.81
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
logP
6.57
Molar Refractivity
155.23
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Created at
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Updated at
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