(Q104946652)

English

(1R,3R,6S)-6-[(E,3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

megastigmane

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mass

226.156894564 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R,6S,7E,9R)-5,6-Epoxy-3,9-dihydroxy-7-megastigmene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₂₂O₃

0 references

canonical SMILES

OC(C=CC12OC2(C)CC(O)CC1(C)C)C

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isomeric SMILES

C[C@@H](O)/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C

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found in taxon

Chrysolaena verbascifolia

1 reference

stated in

Piptocarphols and other constituents of Chrysolaena verbascifolia and Lessingianthus rubricaulis

Sedum sarmentosum

1 reference

stated in

Megastigmanes and their glucosides from the whole plant of Sedum sarmentosum

Calyptocarpus vialis

1 reference

stated in

Sesquiterpene lactones and other constituents of Stevia maimarensis and Synedrellopsis grisebachii

Synedrellopsis grisebachii

1 reference

stated in

Sesquiterpene lactones and other constituents of Stevia maimarensis and Synedrellopsis grisebachii

Identifiers

InChI

InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+/t9-,10-,12-,13+/m1/s1

0 references

InChIKey

BVNCCXWAZAZQNM-ASZAWAPASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVNCCXWAZAZQNM-ASZAWAPASA-N

(Q104946652)

(1R,3R,6S)-6-[(E,3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

Statements

Identifiers

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