(Q105150967)

English

(3R,4aS,7R,8S,8aS)-3,4'-dihydroxy-6'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[3,2-f]isoindole]-7'-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

drimane sesquiterpenoid

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isoindole alkaloid

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mass

429.25152322 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₅NO₅

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canonical SMILES

O=C1C2=CC=3OC4(CC3C(O)=C2CN1CCO)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(CCO)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/C25H35NO5/c1-14-5-6-19-23(2,3)20(28)7-8-24(19,4)25(14)12-16-18(31-25)11-15-17(21(16)29)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19+,20-,24+,25+/m1/s1

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InChIKey

LFDSCKHKJMUBAW-GVKJWVOASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LFDSCKHKJMUBAW-GVKJWVOASA-N

(Q105150967)

(3R,4aS,7R,8S,8aS)-3,4'-dihydroxy-6'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[3,2-f]isoindole]-7'-one

Statements

Identifiers

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