(Q104968484)

English

methyl (2R,4aS,6aR,6aR,6bR,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,6b,7,13,14,14b-decahydropicene-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,6b,7,13,14,14b-decahydropicene-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

496.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₆

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canonical SMILES

O=CC=1C(O)=C(O)C=C2C1C(=O)CC3C2(C)CCC4(C)C5CC(C(=O)OC)(C)CCC5(C)CCC34C

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isomeric SMILES

COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1

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found in taxon

Monteverdia macrocarpa

1 reference

stated in

Macrocarpins A-D, new cytotoxic nor-triterpenes from Maytenus macrocarpa

Monteverdia retusa

1 reference

stated in

Cytotoxic triterpenoids from Maytenus retusa

Identifiers

InChI

InChI=1S/C30H40O6/c1-26-7-8-27(2,25(35)36-6)15-22(26)30(5)12-10-28(3)18-13-20(33)24(34)17(16-31)23(18)19(32)14-21(28)29(30,4)11-9-26/h13,16,21-22,33-34H,7-12,14-15H2,1-6H3/t21-,22+,26+,27+,28-,29+,30-/m0/s1

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InChIKey

CRDQMRNVBQGOTH-ISDJXUMGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104968484)

methyl (2R,4aS,6aR,6aR,6bR,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,6b,7,13,14,14b-decahydropicene-2-carboxylate

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Identifiers

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