(Q105375859)

English

(2R,5S)-4,4'aalpha,5,5',6',7',8',8'a-Octahydro-2',5,5',8'abeta-tetramethyl-5'alpha-(acetoxymethyl)spiro[furan-2(3H),1'(4'H)-naphthalene]-5beta-acetic acid methyl ester

chemical compound

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instance of

type of chemical entity

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subclass of

5'-(2-methoxy-2-oxoethyl)-2,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4H-spiro[naphthalene-1,2'-oxolan]-5-ylmethyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

392.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(2'R,4S,4aR,8S,8aR)-4-(acetyloxymethyl)-2',4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₆O₅

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C1CC=C(C)C32OC(C)(CC(=O)OC)CC3)C

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isomeric SMILES

COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(C)=O

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Identifiers

InChI

InChI=1S/C23H36O5/c1-16-8-9-18-20(3,15-27-17(2)24)10-7-11-22(18,5)23(16)13-12-21(4,28-23)14-19(25)26-6/h8,18H,7,9-15H2,1-6H3/t18-,20-,21-,22-,23+/m0/s1

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InChIKey

ZHMLBQAWLNATOT-VPSDZCSPSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105375859)

(2R,5S)-4,4'aalpha,5,5',6',7',8',8'a-Octahydro-2',5,5',8'abeta-tetramethyl-5'alpha-(acetoxymethyl)spiro[furan-2(3H),1'(4'H)-naphthalene]-5beta-acetic acid methyl ester

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