(Q105289405)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

462.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₉

0 references

canonical SMILES

O=C1C(=O)C2C(C3=C(O)C(O)=C(C(O)=C13)C(COC(=O)C)COC(=O)C)(C)CCCC2(C)C

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isomeric SMILES

CC(=O)OCC(COC(C)=O)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C

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found in taxon

Plectranthus garckeanus

1 reference

stated in

Strukturen von 13 Diterpenen (Coleonen) aus Blattdrüsen vonSolenostemon sylvaticusundColeus garckeanus (Labiatae)

Identifiers

InChI

InChI=1S/C24H30O9/c1-11(25)32-9-13(10-33-12(2)26)14-17(27)15-16(20(30)18(14)28)24(5)8-6-7-23(3,4)22(24)21(31)19(15)29/h13,22,27-28,30H,6-10H2,1-5H3/t22-,24+/m0/s1

0 references

InChIKey

VMYVMFJCNVGPSZ-LADGPHEKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMYVMFJCNVGPSZ-LADGPHEKSA-N

(Q105289405)

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

Statements

Identifiers

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