(Q105003705)

English

[(1S,2R,3R,4S,9S,10S,11S,13R,15R)-2,3,15-triacetyloxy-5,5,9-trimethyl-14-methylidene-6-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadec-7-enyl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(2,3,15-Triacetyloxy-5,5,9-trimethyl-14-methylidene-6-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadec-7-enyl) acetate

1 reference

based on heuristic

inferred from SMILES

516.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₉

0 references

canonical SMILES

O=C(OC1C(=C)C2CC(OC(=O)C)C3C4(C=CC(=O)C(C)(C)C4C(OC(=O)C)C(OC(=O)C)C13C2)C)C

0 references

isomeric SMILES

C=C1[C@H]2C[C@H](OC(C)=O)[C@H]3[C@]4(C)C=CC(=O)C(C)(C)[C@H]4[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C2)[C@@H]1OC(C)=O

0 references

Isodon forrestii

2 references

Diterpenoids from Rabdosia forrestii

Flavonoids from Isodon oresbius

Identifiers

InChI=1S/C28H36O9/c1-13-18-11-19(34-14(2)29)22-27(8)10-9-20(33)26(6,7)23(27)21(35-15(3)30)25(37-17(5)32)28(22,12-18)24(13)36-16(4)31/h9-10,18-19,21-25H,1,11-12H2,2-8H3/t18-,19-,21+,22-,23+,24+,25-,27-,28-/m0/s1

0 references

FWXWTEBWYMMHBZ-GQJSWOTMSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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