(Q82920313)

English

(5R,6S,7R,12R,13S)-12-hydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione

group of stereoisomers with the chemical formula C₂₈H₄₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

440.29265975999994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₀O₄

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canonical SMILES

O=C1CCC2(C)C(C=CC3=C4CCC5C(C)C(CC45CC(=O)C32O)C(O)C(C)C(C)C)C1

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isomeric SMILES

CC(C)[C@@H](C)[C@H](O)[C@@H]1CC23CC(=O)[C@]4(O)C(=C2CC[C@@H]3[C@@H]1C)C=CC1CC(=O)CC[C@@]14C

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found in taxon

Aspergillus nidulans

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stated in

Structures of Two New 18,22-Cyclosterols, Emesterones A and B, f rom Emericella heterothallica.

stated in

Structures of Two New 18,22-Cyclosterols, Emesterones A and B, f rom Emericella heterothallica.

stated in

Structures of Two New 18,22-Cyclosterols, Emesterones A and B, f rom Emericella heterothallica.

Identifiers

InChI

InChI=1S/C28H40O4/c1-15(2)16(3)25(31)20-13-27-14-24(30)28(32)23(22(27)9-8-21(27)17(20)4)7-6-18-12-19(29)10-11-26(18,28)5/h6-7,15-18,20-21,25,31-32H,8-14H2,1-5H3/t16-,17-,18?,20-,21-,25+,26+,27?,28-/m1/s1

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InChIKey

FHVPLUBHHVAIQD-DDCZUTDHSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID701371631

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(Q82920313)

(5R,6S,7R,12R,13S)-12-hydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione

Statements

Identifiers

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