Structure Database (LMSD)

Common Name
zymosterol intermediate 1a
Systematic Name
4-(hydroxymethyl)-5α-cholesta-8,24-dien-3β-ol
Synonyms
LM ID
LMST01010169
Formula
Exact Mass
Calculate m/z
414.34978
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
ORZKEIGPXNMCHC-BZBPNLPVSA-N
InChi (Click to copy)
InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19-,21?,22-,23+,24+,26+,27-,28+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C(CO)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)CC/C=C(/C)\C)CC[C@]13[H]

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 455.82
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.24
Molar Refractivity 126.06

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Created at
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Updated at
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