Structure Database (LMSD)

Common Name
(-)-Spongiane-15,16-diol
Systematic Name
Synonyms
LM ID
LMPR0104110002
Formula
C20H34O3
Exact Mass
Calculate m/z
322.250795
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Isocopalane and spongiane diterpenoids [PR010411]

String Representations

InChiKey (Click to copy)
PEBMMHIALJNROU-LOCFQOHQSA-N
InChi (Click to copy)
InChI=1S/C20H34O3/c1-18(2)9-5-10-19(3)13(18)8-11-20(4)14(19)7-6-12-15(20)17(22)23-16(12)21/h12-17,21-22H,5-11H2,1-4H3/t12-,13+,14?,15+,16-,17+,19+,20-/m1/s1
SMILES (Click to copy)
C1CC[C@]2(C)C3CC[C@@]4([H])[C@H](O)O[C@H](O)[C@@]4([H])[C@]3(C)CC[C@@]2([H])C1(C)C

Other Databases

PubChem CID
42608219

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 331.49
Topological Polar Surface Area 51.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.50
Molar Refractivity 90.40

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Updated at
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