(Q104980935)

English

(1S,3S,4R,4aS,5S,6R,8aS)-4-[(2R,5S)-5-(2-cyanopropan-2-yl)-2-methyloxolan-2-yl]-3,5-dihydroxy-1,6-dimethyl-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1,6-dicarbonitrile

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-[5-(2-Cyanopropan-2-yl)-2-methyloxolan-2-yl]-3,5-dihydroxy-1,6-dimethyl-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1,6-dicarbonitrile

1 reference

based on heuristic

inferred from SMILES

mass

399.252191916 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₃N₃O₃

0 references

canonical SMILES

N#CC(C)(C)C1OC(C)(CC1)C2C(O)CC(C#N)(C)C3CCC(C#N)(C)C(O)C32

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isomeric SMILES

CC(C)(C#N)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@](C)(C#N)[C@H]3CC[C@](C)(C#N)[C@@H](O)[C@@H]32)O1

0 references

found in taxon

Acanthella cavernosa

1 reference

stated in

New Isocyano and Isothiocyanato Terpene Metabolites from the Tropical Marine Sponge Acanthella cavernosa

Identifiers

InChI

InChI=1S/C23H33N3O3/c1-20(2,11-24)16-7-9-23(5,29-16)18-15(27)10-22(4,13-26)14-6-8-21(3,12-25)19(28)17(14)18/h14-19,27-28H,6-10H2,1-5H3/t14-,15-,16-,17-,18-,19-,21+,22+,23+/m0/s1

0 references

InChIKey

DHWCRSNZCPDTKZ-DEDHAYDBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DHWCRSNZCPDTKZ-DEDHAYDBSA-N

(Q104980935)

(1S,3S,4R,4aS,5S,6R,8aS)-4-[(2R,5S)-5-(2-cyanopropan-2-yl)-2-methyloxolan-2-yl]-3,5-dihydroxy-1,6-dimethyl-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1,6-dicarbonitrile

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Identifiers

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