(Q105250683)

English

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

group of stereoisomers with the chemical formula C₂₂H₃₄O₅

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Statements

group of stereoisomers

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kaurane diterpenoid

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kaurane diterpenoid

378.24062418799997 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4C(=CC3(C4)C(O)CC2C1(C)CO)CO)C

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isomeric SMILES

CC(=O)O[C@@H]1CC[C@@]2(C)C3CC[C@@H]4C[C@]3(C=C4CO)[C@@H](O)CC2[C@@]1(C)CO

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Identifiers

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

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SDJVWZZBAQETFJ-QBUDDENOSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SDJVWZZBAQETFJ-QBUDDENOSA-N

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