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(2S)-2-[(1S)-1-[(1S,2R,5R,6R,9S,10S,11S)-10-hydroxy-2,6,10-trimethyl-11-prop-1-en-2-yl-14-oxatetracyclo[7.4.1.01,9.02,6]tetradecan-5-yl]ethyl]-5-methyl-2,3-dihydropyran-6-one

HCID 178972425
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=C(C)[C@@H]1CC[C@@]23O[C@@]2(CC[C@]2(C)[C@@H]([C@H](C)[C@@H]4CC=C(C)C(=O)O4)CC[C@@]32C)[C@@]1(C)O
InChIKey
MOSMFUDZBAPMRN-VTYZJJJKSA-N
Molecular formula
C27H40O4
Average molar mass
428.6 g/mol
Monoisotopic mass
428.29265976

Overview

Kadnanolactone E has been reported in Kadsura ananosma and Kadsura coccinea with data available.

Names & identifiers

Preferred name
(2S)-2-[(1S)-1-[(1S,2R,5R,6R,9S,10S,11S)-10-hydroxy-2,6,10-trimethyl-11-prop-1-en-2-yl-14-oxatetracyclo[7.4.1.01,9.02,6]tetradecan-5-yl]ethyl]-5-methyl-2,3-dihydropyran-6-one
IUPAC
(2S)-2-[(1S)-1-[(1S,2R,5R,6R,9S,10S,11S)-10-hydroxy-2,6,10-trimethyl-11-prop-1-en-2-yl-14-oxatetracyclo[7.4.1.01,9.02,6]tetradecan-5-yl]ethyl]-5-methyl-2,3-dihydropyran-6-one

Database identifiers

Nikkaji
J2.897.350K

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
59.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Formal charge
0
Complexity
876

Related reactions

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Compound notes

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