(Q105033059)

English

(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-5'-carbaldehyde

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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grisan-type benzofuranoid

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mass

388.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₅

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canonical SMILES

O=CC1=C(O)C2=C(OC3(C2)C(C)CCC4C(C)(C)C(O)CCC43C)C=C1CO

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isomeric SMILES

C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(cc(CO)c(C=O)c1O)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/C23H32O5/c1-13-5-6-18-21(2,3)19(26)7-8-22(18,4)23(13)10-15-17(28-23)9-14(11-24)16(12-25)20(15)27/h9,12-13,18-19,24,26-27H,5-8,10-11H2,1-4H3/t13-,18+,19-,22+,23-/m1/s1

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InChIKey

HSIIEJMIARCGAU-QJAXDWLUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HSIIEJMIARCGAU-QJAXDWLUSA-N

(Q105033059)

(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-5'-carbaldehyde

Statements

Identifiers

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