(Q105195401)

English

2-(2',4-dihydroxy-1',1',4'a,6'-tetramethyl-7-oxo-spiro[5,6-dihydro-3H-cyclopenta[f]benzofuran-2,5'-decalin]-6-yl)-6-(2',4-dihydroxy-1',1',4'a,6'-tetramethyl-7-oxo-spiro[3,5-dihydrofuro[2,3-f]isoindole-2,5'-decalin]-6-yl)hexanoic acid

group of stereoisomers with the chemical formula C₅₃H₇₁NO₁₀

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Statements

instance of

group of stereoisomers

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subclass of

drimane sesquiterpenoid

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inferred from

drimane sesquiterpenoid

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881.507797472 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₃H₇₁NO₁₀

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canonical SMILES

O=C(O)C(CCCCN1C(=O)C2=CC=3OC4(CC3C(O)=C2C1)C(C)CCC5C(C)(C)C(O)CCC54C)C6C(=O)C7=CC=8OC9(CC8C(O)=C7C6)C(C)CCC%10C(C)(C)C(O)CCC%109C

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found in taxon

Stachybotrys

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stated in

Novel spirodihydrobenzofuranlactams as antagonists of endothelin and as inhibitors of HIV-1 protease produced by Stachybotrys sp. II. Structure determination

stated in

Novel spirodihydrobenzofuranlactams as antagonists of endothelin and as inhibitors of HIV-1 protease produced by Stachybotrys sp. II. Structure determination

Identifiers

InChI

InChI=1S/C53H71NO10/c1-27-12-14-39-48(3,4)41(55)16-18-50(39,7)52(27)24-34-37(63-52)22-32-31(44(34)58)21-30(43(32)57)29(47(61)62)11-9-10-20-54-26-36-33(46(54)60)23-38-35(45(36)59)25-53(64-38)28(2)13-15-40-49(5,6)42(56)17-19-51(40,53)8/h22-23,27-30,39-42,55-56,58-59H,9-21,24-26H2,1-8H3,(H,61,62)

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InChIKey

OOIOZWJEERHNQN-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

OOIOZWJEERHNQN-UHFFFAOYSA-N

1 reference

(Q105195401)

2-(2',4-dihydroxy-1',1',4'a,6'-tetramethyl-7-oxo-spiro[5,6-dihydro-3H-cyclopenta[f]benzofuran-2,5'-decalin]-6-yl)-6-(2',4-dihydroxy-1',1',4'a,6'-tetramethyl-7-oxo-spiro[3,5-dihydrofuro[2,3-f]isoindole-2,5'-decalin]-6-yl)hexanoic acid

Statements

Identifiers

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