(Q105175441)

English

[(1S,2R,4S,5S,9R,10S,13S,15R,16R)-2,16-dihydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

type of chemical entity

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[2,16-Dihydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

[(1S,2R,4S,5S,9R,10S,15R,16R)-2,16-dihydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

O=C(OC1C(=C)C2CCC3C4(C)CCCC(C)(CO)C4CC(O)C13C2O)C

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isomeric SMILES

C=C1[C@@H]2CC[C@@H]3[C@@]([C@H](O)C[C@@H]4[C@@](C)(CO)CCC[C@]43C)([C@@H]1OC(C)=O)[C@@H]2O

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Isodon albopilosus

1 reference

ent-Kaurane Diterpenoids from Isodon albopilosus

Identifiers

InChI=1S/C22H34O5/c1-12-14-6-7-15-21(4)9-5-8-20(3,11-23)16(21)10-17(25)22(15,18(14)26)19(12)27-13(2)24/h14-19,23,25-26H,1,5-11H2,2-4H3/t14-,15-,16+,17+,18+,19+,20+,21-,22-/m0/s1

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MZFXBPKDPWBFEK-OUEDFKDUSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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