(Q105024557)

English

[(1R,4S,6R,7S,9R,10S,11S,13R)-6-acetyloxy-7,13-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-Acetyloxy-7,13-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

434.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₇

0 references

canonical SMILES

O=C(OC1CC2(O)C(=C)C(=O)C3(CCC4C(C)(C)C(OC(=O)C)C(O)CC4(C)C13)C2)C

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isomeric SMILES

C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)[C@@H](O)C[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@]1(O)C3

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found in taxon

Isodon rubescens

1 reference

stated in

ent-Kaurene diterpenoids from Isodon rubescens

Identifiers

InChI

InChI=1S/C24H34O7/c1-12-19(28)23-8-7-17-21(4,5)20(31-14(3)26)15(27)9-22(17,6)18(23)16(30-13(2)25)10-24(12,29)11-23/h15-18,20,27,29H,1,7-11H2,2-6H3/t15-,16-,17+,18-,20-,22+,23+,24-/m0/s1

0 references

InChIKey

GZSJTCUGXULIIY-HADVILGZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GZSJTCUGXULIIY-HADVILGZSA-N

(Q105024557)

[(1R,4S,6R,7S,9R,10S,11S,13R)-6-acetyloxy-7,13-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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Identifiers

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