(Q104938075)

English

[(2R)-2-[(4bS,8aS,10R)-3-acetyloxy-10-hydroxy-4b,8,8-trimethyl-1,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[3-(acetyloxy)-10-hydroxy-4b,8,8-trimethyl-1,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

432.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₇

0 references

canonical SMILES

O=C1C(=C(OC(=O)C)C(=O)C2=C1C(O)CC3C2(C)CCCC3(C)C)C(C)COC(=O)C

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isomeric SMILES

CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C

0 references

found in taxon

Isodon lophanthoides

2 references

stated in

Abietane quinones from Rabdosia lophanthoides

stated in

Flavonoids from Isodon oresbius

Identifiers

InChI

InChI=1S/C24H32O7/c1-12(11-30-13(2)25)17-20(28)18-15(27)10-16-23(4,5)8-7-9-24(16,6)19(18)21(29)22(17)31-14(3)26/h12,15-16,27H,7-11H2,1-6H3/t12-,15+,16-,24-/m0/s1

0 references

InChIKey

BLNMCUVQEWIYBJ-MUNUTPGCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BLNMCUVQEWIYBJ-MUNUTPGCSA-N

(Q104938075)

[(2R)-2-[(4bS,8aS,10R)-3-acetyloxy-10-hydroxy-4b,8,8-trimethyl-1,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl] acetate

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Identifiers

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