Structure database (LMSD)

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LM IDLMPR0104350001
Common Name(-)-Fusicoplagin A
Systematic Name(-)-8α,15-diacetoxy-4β,9α,14β-trihydroxy-3(16)-fusicoccene
Synonyms-
Exact Mass
438.2618 (neutral)    Calculate m/z:
FormulaC24H38O7
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Fusicoccane diterpenoids [PR010435]
PubChem CID42608251
InChIKeyAMBIXBPMZZPLEH-RITQMIIASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[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]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings3Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
440.29Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP3.65Molar
Refractivity
116.20