(Q105287580)

English

[(1S,2R,4S,9R,10S,13S,16R)-16-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-2-tetracyclo[11.2.1.01,10.04,9]hexadec-7-enyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

16-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-7-en-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

372.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₅

0 references

canonical SMILES

O=C(OC1CC2C(C(=O)C=CC2(C)C3CCC4C(=C)C(=O)C13C4O)(C)C)C

0 references

isomeric SMILES

C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)C=CC(=O)C(C)(C)[C@H]1C[C@H]3OC(C)=O

0 references

found in taxon

Isodon liangshanicus

2 references

stated in

Flavonoids from Isodon oresbius

stated in

Diterpenoid constituents of Rabdosia liangshanica

Identifiers

InChI

InChI=1S/C22H28O5/c1-11-13-6-7-14-21(5)9-8-16(24)20(3,4)15(21)10-17(27-12(2)23)22(14,18(11)25)19(13)26/h8-9,13-15,17,19,26H,1,6-7,10H2,2-5H3/t13-,14-,15+,17+,19+,21-,22-/m0/s1

0 references

InChIKey

VJXVVVRBIXYHON-KEXKRWMXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VJXVVVRBIXYHON-KEXKRWMXSA-N

(Q105287580)

[(1S,2R,4S,9R,10S,13S,16R)-16-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-2-tetracyclo[11.2.1.01,10.04,9]hexadec-7-enyl] acetate

Statements

Identifiers

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