(Q105352774)

English

(3R,3aS,5aR,6R,9S,9aS,9bS)-6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione

chemical compound

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instance of

type of chemical entity

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subclass of

6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione

1 reference

based on heuristic

inferred from SMILES

mass

266.151809184 dalton

1 reference

1 reference

C₁₅H₂₂O₄

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canonical SMILES

O=C1OC2C(CCC3(C)C(O)CC(=O)C(C)C23)C1C

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isomeric SMILES

C[C@@H]1C(=O)C[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12

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found in taxon

Artemisia absinthium

3 references

stated in

Structures of ashurbin and arabsin

stated in

Arabsin — A new lactone from Artemisia absinthium

stated in

Sesquiterpene lactones and systematics of the genus Artemisia

Artemisia abrotanum

1 reference

stated in

Sesquiterpene lactones and systematics of the genus Artemisia

Artemisia annua

1 reference

stated in

Sesquiterpene lactones and systematics of the genus Artemisia

Artemisia campestris

1 reference

stated in

Sesquiterpene lactones and systematics of the genus Artemisia

Artemisia genipi

1 reference

stated in

Sesquiterpene lactones and systematics of the genus Artemisia

Artemisia umbelliformis

1 reference

stated in

Sesquiterpene lactones and systematics of the genus Artemisia

Artemisia vallesiaca

1 reference

stated in

Sesquiterpene lactones and systematics of the genus Artemisia

Artemisia vulgaris

1 reference

stated in

Sesquiterpene lactones and systematics of the genus Artemisia

Ajania przewalskii

1 reference

stated in

Unusual sesquiterpene lactones with a new carbon skeleton and new acetylenes from Ajania przewalskii

Identifiers

InChI

InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-9,11-13,17H,4-6H2,1-3H3/t7-,8-,9+,11-,12-,13+,15+/m1/s1

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InChIKey

YRFWEPYMRLGVBZ-ANGHFORKSA-N

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CAS Registry Number

38412-44-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

matched by identifier from

InChIKey

YRFWEPYMRLGVBZ-ANGHFORKSA-N

(Q105352774)

(3R,3aS,5aR,6R,9S,9aS,9bS)-6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione

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