(Q105331958)

English

(2R,4aR,5R,8aR)-1,1,4a,6-tetramethyl-5-(phenoxymethyl)-2,3,4,5,8,8a-hexahydronaphthalen-2-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

drimane sesquiterpenoid

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mass

314.2245802 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,4aR,5R,8aR)-1,1,4a,6-tetramethyl-5-(phenoxymethyl)-2,3,4,5,8,8a-hexahydronaphthalen-2-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₂

0 references

canonical SMILES

OC1CCC2(C)C(C(=CCC2C1(C)C)C)COC=3C=CC=CC3

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isomeric SMILES

CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccccc1

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found in taxon

Brocchia cinerea

1 reference

stated in

Sesquiterpene-coumarin ethers and polyacetylenes from Bfrocchia cinerea

Identifiers

InChI

InChI=1S/C21H30O2/c1-15-10-11-18-20(2,3)19(22)12-13-21(18,4)17(15)14-23-16-8-6-5-7-9-16/h5-10,17-19,22H,11-14H2,1-4H3/t17-,18+,19-,21+/m1/s1

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InChIKey

XNTVDVXTGHDVAF-HDAAZOAOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNTVDVXTGHDVAF-HDAAZOAOSA-N

(Q105331958)

(2R,4aR,5R,8aR)-1,1,4a,6-tetramethyl-5-(phenoxymethyl)-2,3,4,5,8,8a-hexahydronaphthalen-2-ol

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Identifiers

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