(Q105146471)

English

(1R,4S,6S,9S,10S,13S)-6-hydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-7,12-dione

chemical compound

In more languages

Statements

type of chemical entity

0 references

beyerane diterpenoid

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316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4R,6R,9R,10R,13R)-6-hydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-7,12-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

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canonical SMILES

O=C1CC2(C)C3CC(=O)C4(C=CC3(CCC2C(C)(C)C1O)C4)C

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isomeric SMILES

CC1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@](C)(C1)C(=O)C[C@@H]23

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Androstachys johnsonii

1 reference

A new atisane diterpene: ent-16α-hydroxyatis-13-en-3-one from Androstachys johnsonii prain

Identifiers

InChI=1S/C20H28O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14,16,23H,5-6,9-11H2,1-4H3/t13-,14+,16-,18-,19-,20+/m1/s1

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KVDLINJXYLXARR-NIVYOZJYSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KVDLINJXYLXARR-NIVYOZJYSA-N

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