(Q104392868)

English

[(1S,2R,4R,5R,6S,9R,10R,13S)-2,6-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

chemical compound

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type of chemical entity

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subclass of

{2,6-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl acetate

1 reference

based on heuristic

inferred from SMILES

3,7-Dihydroxykaur-16-en-19-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

362.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4S,5S,6S,9S,10S,13R)-2,6-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

1 reference

based on heuristic

inferred from InChI

[(1R,2S,4R,5S,6R,9S,10S,13R)-2,6-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

1 reference

1 reference

C₂₂H₃₄O₄

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canonical SMILES

O=C(OCC1(C)C(O)CCC2(C)C3CCC4C(=C)CC3(C4)C(O)CC12)C

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isomeric SMILES

C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CC[C@H](O)[C@@](C)(COC(C)=O)[C@@H]1C[C@H]3O

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found in taxon

Sideritis bourgeana

1 reference

stated in

Analysis of diterpenoids from Sideritis species by reversed-phase high-performance liquid chromatography

Sideritis pusilla

2 references

stated in

Analysis of diterpenoids from Sideritis species by reversed-phase high-performance liquid chromatography

stated in

Microbial Transformation of Tetracyclic Diterpenes: Conversion of Ent-Kaurenones by Aspergillus niger

Sideritis argyrea

2 references

stated in

Phytochemical Analysis of Some Sideritis Species of Turkey

stated in

Diterpenes from Sideritis argyrea

Sideritis sipylea

2 references

stated in

Phytochemical Analysis of Some Sideritis Species of Turkey

stated in

Diterpenes from Sideritis sventenii and S. cystosiphon

Sideritis athoa

2 references

stated in

Phytochemical Analysis of Some Sideritis Species of Turkey

stated in

Ent-Kaurene Diterpenes from Sideritis Athoa

Sideritis akmanii

1 reference

stated in

Diversity and antifeedant activity of diterpenes from Turkish species of Sideritis

Sideritis brevidens

1 reference

stated in

Diversity and antifeedant activity of diterpenes from Turkish species of Sideritis

Sideritis huber-morathii

1 reference

stated in

An ent-kaurane from Sideritis huber-morathii

Sideritis niveotomentosa

1 reference

stated in

Diversity and antifeedant activity of diterpenes from Turkish species of Sideritis

Sideritis rubriflora

1 reference

stated in

Diversity and antifeedant activity of diterpenes from Turkish species of Sideritis

Sideritis leucantha

2 references

stated in

Analysis of diterpenoids from Sideritis species by reversed-phase high-performance liquid chromatography

stated in

Microbial Transformation of Tetracyclic Diterpenes: Conversion of Ent-Kaurenones by Aspergillus niger

Sideritis angustifolia

1 reference

stated in

Diterpenes from Sideritis lagascana and Sideritis valverdei

Identifiers

InChI

InChI=1S/C22H34O4/c1-13-10-22-11-15(13)5-6-16(22)20(3)8-7-18(24)21(4,12-26-14(2)23)17(20)9-19(22)25/h15-19,24-25H,1,5-12H2,2-4H3/t15-,16+,17+,18-,19+,20+,21-,22+/m0/s1

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InChIKey

FOSUPIBQARPELG-DQSBVALTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104392868)

[(1S,2R,4R,5R,6S,9R,10R,13S)-2,6-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

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