(Q105137399)

English

(4aR,5R,6R,8aS)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-methylidenechromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-chromene

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drimane sesquiterpenoid

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mass

396.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₄

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canonical SMILES

O=C1CCC2(C)C(COC=3C=CC=4C=CC(OC4C3)=C)C(O)(C)CCC2C1(C)C

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isomeric SMILES

C=C1C=Cc2ccc(OC[C@@H]3[C@](C)(O)CC[C@@H]4C(C)(C)C(=O)CC[C@]43C)cc2O1

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found in taxon

Ferula assa-foetida

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stated in

Sesquiterpene coumarins from the roots of Ferula assa-foetida

Identifiers

InChI

InChI=1S/C25H32O4/c1-16-6-7-17-8-9-18(14-19(17)29-16)28-15-21-24(4)12-11-22(26)23(2,3)20(24)10-13-25(21,5)27/h6-9,14,20-21,27H,1,10-13,15H2,2-5H3/t20-,21+,24-,25-/m1/s1

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InChIKey

JZHCETDUGDFXEY-RRJCBXKSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JZHCETDUGDFXEY-RRJCBXKSSA-N

(Q105137399)

(4aR,5R,6R,8aS)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-methylidenechromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one

Statements

Identifiers

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