(Q105331879)

English

(1R,8S,9S)-3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one

group of stereoisomers with the chemical formula C₂₁H₂₈O₅

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instance of

group of stereoisomers

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1 reference

360.1936739959999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₈O₅

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canonical SMILES

O=C1OC2C(OC)C3=CC(=C(O)C(O)=C3C14CCCC(C)(C)C24)C(C)C

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isomeric SMILES

CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)C2[C@@H]1OC3=O

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Identifiers

InChI

InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18?,21-/m0/s1

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InChIKey

XNPVHIQPSAZTLC-APZTZJSISA-N

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PubChem CID

455262

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XNPVHIQPSAZTLC-APZTZJSISA-N

ChEBI ID

182911

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18?,21-/m0/s1

1 reference

(Q105331879)

(1R,8S,9S)-3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one

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