(Q104954558)

English

[(2S,4aS,4bR,5R,6R,6aR,10aR,10bR,12aR)-5-acetyloxy-2,4b,7,7,10a,12a-hexamethyl-1,4,8,12-tetraoxo-2-propanoyl-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromen-6-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-Acetyloxy-2,4b,7,7,10a,12a-hexamethyl-1,4,8,12-tetraoxo-2-propanoyl-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromen-6-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

560.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₁₀

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C2(C)C3C(=O)OC(C(=O)CC)(C(=O)C3(C(=O)CC2C4(C)CCC(=O)C(C)(C)C14)C)C)C

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isomeric SMILES

CCC(=O)[C@]1(C)OC(=O)[C@@H]2[C@](C)(C(=O)C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]23C)C1=O

0 references

found in taxon

Penicillium simplicissimum

1 reference

stated in

Two New Meroterpenoids, Penisimplicin A and B, Isolated from Penicillium simplicissimum

Identifiers

InChI

InChI=1S/C30H40O10/c1-10-17(33)30(9)25(37)29(8)19(35)13-16-27(6)12-11-18(34)26(4,5)21(27)20(38-14(2)31)23(39-15(3)32)28(16,7)22(29)24(36)40-30/h16,20-23H,10-13H2,1-9H3/t16-,20-,21+,22+,23+,27-,28-,29+,30+/m1/s1

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InChIKey

CDKPISZELKSHEJ-IAOCGNOMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CDKPISZELKSHEJ-IAOCGNOMSA-N

(Q104954558)

[(2S,4aS,4bR,5R,6R,6aR,10aR,10bR,12aR)-5-acetyloxy-2,4b,7,7,10a,12a-hexamethyl-1,4,8,12-tetraoxo-2-propanoyl-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromen-6-yl] acetate

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