(Q105179497)

English

(2S,4aR,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-methylidenechromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-chromene

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drimane sesquiterpenoid

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mass

380.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₃

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canonical SMILES

OC1CCC2(C)C(C(=C)CCC2C1(C)C)COC=3C=CC=4C=CC(OC4C3)=C

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isomeric SMILES

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

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found in taxon

Ferula assa-foetida

1 reference

stated in

Sesquiterpene coumarins from the roots of Ferula assa-foetida

Identifiers

InChI

InChI=1S/C25H32O3/c1-16-6-11-22-24(3,4)23(26)12-13-25(22,5)20(16)15-27-19-10-9-18-8-7-17(2)28-21(18)14-19/h7-10,14,20,22-23,26H,1-2,6,11-13,15H2,3-5H3/t20-,22-,23+,25+/m1/s1

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InChIKey

NHNUDJNKOKXFRV-SRTADBNSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NHNUDJNKOKXFRV-SRTADBNSSA-N

(Q105179497)

(2S,4aR,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-methylidenechromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol

Statements

Identifiers

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