(Q104945758)

English

[(1R,2R,4S,9R,10S,12S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-12-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=C(OC1CC2C3(C(=O)C(=C)C1C3O)C(O)CC4C(C(=O)CCC42C)(C)C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Isodon liangshanicus

2 references

stated in

Diterpenoid constituents of Rabdosia liangshanica

stated in

Flavonoids from Isodon oresbius

Identifiers

InChI

InChI=1S/C22H30O6/c1-10-17-12(28-11(2)23)8-14-21(5)7-6-15(24)20(3,4)13(21)9-16(25)22(14,18(10)26)19(17)27/h12-14,16-17,19,25,27H,1,6-9H2,2-5H3/t12-,13+,14-,16+,17+,19+,21+,22-/m0/s1

0 references

InChIKey

BTNLBNFJKVCIJO-GWRNZJBRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BTNLBNFJKVCIJO-GWRNZJBRSA-N

(Q104945758)

[(1R,2R,4S,9R,10S,12S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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Identifiers

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