(Q105117471)

English

[(1R,2R,4S,6S,9R,10S,11S,13S)-2,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(2,11-Dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate

1 reference

based on heuristic

inferred from SMILES

376.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₅

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canonical SMILES

O=C(OC1CCC2(C)C(CC(O)C34C(=O)C(=C)C(CC(O)C32)C4)C1(C)C)C

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isomeric SMILES

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

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Isodon inflexus

1 reference

Longirabdolactone and longirabdacetal, 6,7-seco-ent-kaurenoids from Rabdosia longituba

Identifiers

InChI=1S/C22H32O5/c1-11-13-8-14(24)18-21(5)7-6-17(27-12(2)23)20(3,4)15(21)9-16(25)22(18,10-13)19(11)26/h13-18,24-25H,1,6-10H2,2-5H3/t13-,14+,15-,16-,17+,18+,21-,22+/m1/s1

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IPSPEZXNKZLNGQ-XPVQFEQOSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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