(Q105285330)

English

(4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS,E)-10-hydroxy-6a-(4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl)-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

632.407689512 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₆

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(CC(=O)C=CC6=CC=C(O)C(OC)=C6)CC1

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isomeric SMILES

COc1cc(/C=C/C(=O)C[C@@]23CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O

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found in taxon

Uncaria rhynchophylla

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stated in

Inhibition of phospholipase cgamma1 and cancer cell proliferation by triterpene esters from Uncaria rhynchophylla

Identifiers

InChI

InChI=1S/C40H56O6/c1-35(2)18-19-39(34(44)45)20-21-40(23-26(41)10-8-25-9-12-29(42)30(22-25)46-7)27(28(39)24-35)11-13-32-37(5)16-15-33(43)36(3,4)31(37)14-17-38(32,40)6/h8-12,22,28,31-33,42-43H,13-21,23-24H2,1-7H3,(H,44,45)/b10-8+/t28-,31-,32+,33-,37-,38+,39-,40-/m0/s1

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InChIKey

VFJODNONXFOWFG-IWFHGSTGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VFJODNONXFOWFG-IWFHGSTGSA-N

1 reference

(Q105285330)

(4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS,E)-10-hydroxy-6a-(4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl)-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

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Identifiers

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