(Q105217505)

English

(E)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,8-bis(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-[12-Hydroxy-8,21,21-trimethyl-5,8-bis(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

614.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,8-bis(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₂O₈

0 references

canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(C=C4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC431)CC=C(C)C)(C)CC=C(C)C)C2=O)C

0 references

isomeric SMILES

CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(\C)C(=O)O)C5=O)C3=O)C=C[C@@](C)(CC=C(C)C)O2

0 references

found in taxon

Garcinia hanburyi

1 reference

stated in

Cytotoxic polyprenylated xanthones from the resin of Garcinia hanburyi

Identifiers

InChI

InChI=1S/C37H42O8/c1-19(2)9-10-24-30-23(13-15-35(8,43-30)14-11-20(3)4)28(38)27-29(39)25-17-22-18-26-34(6,7)45-36(32(22)40,16-12-21(5)33(41)42)37(25,26)44-31(24)27/h9,11-13,15,17,22,26,38H,10,14,16,18H2,1-8H3,(H,41,42)/b21-12+/t22-,26+,35-,36+,37-/m1/s1

0 references

InChIKey

QALPNMQDVCOSMJ-MEORWDMASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QALPNMQDVCOSMJ-MEORWDMASA-N

(Q105217505)

(E)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,8-bis(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

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