(Q104955552)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

632.407689512 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O₆

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canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=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=CC(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](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

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1

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InChIKey

CEDIUSJLGQLBRO-MWQKBLSWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEDIUSJLGQLBRO-MWQKBLSWSA-N

(Q104955552)

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

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Identifiers

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