Structure Database (LMSD)

Common Name
(-)-Sacculatal
Systematic Name
(-)-7,17-sacculatadiene-11,12-dial
Synonyms
LM ID
LMPR0104500001
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Sacculatane diterpenoids [PR010450]

String Representations

InChiKey (Click to copy)
CJRSLLMDIKKFIM-VNTMZGSJSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-15(2)7-5-10-19(3)11-6-12-20(4)17(14-22)16(13-21)8-9-18(19)20/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/t17-,18-,19+,20+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@]2([H])[C@@](CC/C=C(/C)\C)(C)C1

Other Databases

PubChem CID
14285716

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 336.86
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.89
Molar Refractivity 90.54

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Created at
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Updated at
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