Structure Database (LMSD)

Common Name
(-)-Fusicoplagin A
Systematic Name
(-)-8α,15-diacetoxy-4β,9α,14β-trihydroxy-3(16)-fusicoccene
Synonyms
LM ID
LMPR0104350001
Formula
C24H38O7
Exact Mass
Calculate m/z
438.261755
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]
Fusicoccane diterpenoids [PR010435]

String Representations

InChiKey (Click to copy)
AMBIXBPMZZPLEH-RITQMIIASA-N
InChi (Click to copy)
InChI=1S/C24H38O7/c1-12(2)24(29)8-7-23(11-30-15(5)25)10-18-13(3)19(27)9-17(18)14(4)21(31-16(6)26)20(28)22(23)24/h12,14,17-22,27-29H,3,7-11H2,1-2,4-6H3/t14-,17+,18+,19+,20+,21+,22-,23-,24-/m1/s1
SMILES (Click to copy)
[C@H]1(C)[C@H](OC(=O)C)[C@H](O)[C@@]2([H])[C@](O)(C(C)C)CC[C@]2(COC(=O)C)C[C@@]2([H])C(=C)[C@@H](O)C[C@@]12[H]

Other Databases

CHEBI ID
184676
PubChem CID
42608251

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 440.29
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.65
Molar Refractivity 116.20

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Updated at
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