(Q104999401)

English

(2R)-3-[(2S)-5-[2-[(1aR,4aS,5R,6R,8aR)-1a,5,6-trimethyl-1,2,3,4,4a,6,7,8-octahydrocyclopropa[e]naphthalen-5-yl]ethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[5-(2-{1a,5,6-trimethyl-octahydrocyclopropa[e]naphthalen-5-yl}ethyl)-3,6-dihydro-2H-pyran-2-yl]-5-hydroxy-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

400.261359632 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₆O₄

0 references

canonical SMILES

O=C1OC(O)C(=C1)C2OCC(=CC2)CCC3(C)C(C)CCC45CC5(C)CCCC34

0 references

isomeric SMILES

C[C@@H]1CC[C@]23C[C@@]2(C)CCC[C@H]3[C@]1(C)CCC1=CC[C@@H](C2=CC(=O)O[C@H]2O)OC1

0 references

found in taxon

Cacospongia mollior

1 reference

stated in

Cacospongionolide. A new antitumoral sesterterpene, from the marine sponge Cacospongia mollior

Identifiers

InChI

InChI=1S/C25H36O4/c1-16-8-12-25-15-23(25,2)10-4-5-20(25)24(16,3)11-9-17-6-7-19(28-14-17)18-13-21(26)29-22(18)27/h6,13,16,19-20,22,27H,4-5,7-12,14-15H2,1-3H3/t16-,19+,20+,22-,23-,24-,25-/m1/s1

0 references

InChIKey

FPUWYDSKOKLTDH-AXGTXJLNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FPUWYDSKOKLTDH-AXGTXJLNSA-N

(Q104999401)

(2R)-3-[(2S)-5-[2-[(1aR,4aS,5R,6R,8aR)-1a,5,6-trimethyl-1,2,3,4,4a,6,7,8-octahydrocyclopropa[e]naphthalen-5-yl]ethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-2H-furan-5-one

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