(Q105206804)

English

4-[(1R,2S,3S)-2,3-bis(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[2,3-Bis(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenol

1 reference

based on heuristic

inferred from SMILES

mass

374.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-[(1S,2R,3R)-2,3-bis(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₆

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canonical SMILES

OC1=CC=C(C=C1OC)C2C3=CC(OC)=C(OC)C=C3CC(CO)C2CO

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isomeric SMILES

COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](CO)[C@H]2CO)ccc1O

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found in taxon

Scaphopetalum thonneri

2 references

stated in

Scaphopetalone and scaphopetalumate, a lignan and a triterpene ester from Scaphopetalum thonneri.

stated in

Scaphopetalone and scaphopetalumate, a lignan and a triterpene ester from Scaphopetalum thonneri.

Identifiers

InChI

InChI=1S/C21H26O6/c1-25-18-7-12(4-5-17(18)24)21-15-9-20(27-3)19(26-2)8-13(15)6-14(10-22)16(21)11-23/h4-5,7-9,14,16,21-24H,6,10-11H2,1-3H3/t14-,16-,21-/m1/s1

0 references

InChIKey

PDWZFAROGANMAJ-IUSZMWJPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PDWZFAROGANMAJ-IUSZMWJPSA-N

1 reference

NMRShiftDB structure ID

11851

1 reference

matched by identifier from

InChIKey

PDWZFAROGANMAJ-IUSZMWJPSA-N

(Q105206804)

4-[(1R,2S,3S)-2,3-bis(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenol

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Identifiers

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