Structure Database (LMSD)

Common Name
32,35-anhydrobacteriohopan-11-ene-tetrol
Systematic Name
Synonyms
LM ID
LMPR04000023
Formula
C35H58O3
Exact Mass
Calculate m/z
526.438595
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Hopanoids [PR04]

String Representations

InChiKey (Click to copy)
AFHCCDGQGXIVGF-JYEFOXIVSA-N
InChi (Click to copy)
InChI=1S/C35H58O3/c1-22(9-10-26-30(37)25(36)21-38-26)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h11-12,22-30,36-37H,8-10,13-21H2,1-7H3/t22?,23?,24?,25-,26?,27?,28?,29?,30-,32-,33-,34+,35+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C3[C@@](C)(CCC2C(C)(C)C1)[C@]1(C)CCC2C(C(CCC4OC[C@H](O)[C@@H]4O)C)CC[C@]2(C)C1C=C3

Other Databases

PubChem CID
42608330

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 6
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 563.63
Topological Polar Surface Area 51.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 8.93
Molar Refractivity 156.53

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Created at
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Updated at
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