(Q105329945)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(2S,2'R)-5,6-dihydroxy-2',5',5',8'a-tetramethyl-3',4',4'a,6',7',8'-hexahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-7-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

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

1 reference

1 reference

358.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₄

0 references

canonical SMILES

O=CC=1C(O)=C(O)C=C2C1OC3(C2)C(C)CCC4C(C)(C)CCCC43C

0 references

isomeric SMILES

C[C@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12Cc1cc(O)c(O)c(C=O)c1O2

0 references

found in taxon

Siphonodictyon coralliphagum

1 reference

stated in

Bioactive metabolites from the Caribbean sponge Aka coralliphagum.

Identifiers

InChI

InChI=1S/C22H30O4/c1-13-6-7-17-20(2,3)8-5-9-21(17,4)22(13)11-14-10-16(24)18(25)15(12-23)19(14)26-22/h10,12-13,17,24-25H,5-9,11H2,1-4H3/t13-,17+,21+,22-/m0/s1

0 references

InChIKey

XLFVUGGPQIMDHU-UFOSLMCYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XLFVUGGPQIMDHU-UFOSLMCYSA-N

(Q105329945)

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

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