(Q105000108)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2,6-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

[(1R,2S,5S,6R,9S,13R)-2,6-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Acetic acid 3alpha,7beta,17-trihydroxykaura-15-ene-19-yl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

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

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isomeric SMILES

CC(=O)OC[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)[C@@H](O)C[C@H]21

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found in taxon

Sideritis hirsuta

1 reference

stated in

ent-Kauranoid derivatives from Sideritis moorei

Identifiers

InChI

InChI=1S/C22H34O5/c1-13(24)27-12-21(3)17-8-19(26)22-9-14(15(10-22)11-23)4-5-16(22)20(17,2)7-6-18(21)25/h10,14,16-19,23,25-26H,4-9,11-12H2,1-3H3/t14-,16+,17-,18-,19+,20+,21-,22-/m1/s1

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InChIKey

FRDLKANXGVGBKH-RHPYJLKMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FRDLKANXGVGBKH-RHPYJLKMSA-N

(Q105000108)

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

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