(Q105341034)

English

(2S)-2-[(3R,4aS,7S,8S,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-7'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[2,3-f]isoindole]-6'-yl]pentanedioic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

drimane sesquiterpenoid

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isoindole alkaloid

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mass

515.251917144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₇NO₈

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canonical SMILES

O=C(O)CCC(C(=O)O)N1C(=O)C2=CC=3OC4(CC3C(O)=C2C1)C(C)CCC5C(C)(C)C(O)CCC54C

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isomeric SMILES

C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(cc3c(c1O)CN([C@@H](CCC(=O)O)C(=O)O)C3=O)O2

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found in taxon

Stachybotrys chartarum

1 reference

stated in

Novel Spirodihydrobenzofuranlactams as Antagonists of Endothelin and as Inhibitors of HIV-1 Protease Produced by Stachybotrys sp. I. Fermentation, Isolation and Biological Activity.

Identifiers

InChI

InChI=1S/C28H37NO8/c1-14-5-7-20-26(2,3)21(30)9-10-27(20,4)28(14)12-16-19(37-28)11-15-17(23(16)33)13-29(24(15)34)18(25(35)36)6-8-22(31)32/h11,14,18,20-21,30,33H,5-10,12-13H2,1-4H3,(H,31,32)(H,35,36)/t14-,18-,20-,21+,27-,28-/m0/s1

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InChIKey

XSIHIBRCLUCPAO-ZRSZAMCLSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105341034)

(2S)-2-[(3R,4aS,7S,8S,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-7'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[2,3-f]isoindole]-6'-yl]pentanedioic acid

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Identifiers

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