(Q105186482)

English

(Z)-4-[(1S,2S,8S,11S,12S,19S,21R)-14-hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-enyl)-16,20-dioxo-11-prop-1-en-2-yl-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid

chemical compound

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instance of

type of chemical entity

0 references

1 reference

(E)-4-[(2S,8R,19S)-14-Hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-enyl)-16,20-dioxo-11-prop-1-en-2-yl-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

628.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-4-[(1S,2S,8R,11S,12R,19S,21R)-14-hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-enyl)-16,20-dioxo-11-prop-1-en-2-yl-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₄O₈

0 references

canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(C=C4C(=O)C=5C(O)=C6C(OC7(C)CCC(C(=C)C)C6C7)=C(C5OC431)CC=C(C)C)C2=O)C

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isomeric SMILES

C=C(C)[C@H]1CC[C@@]2(C)C[C@@H]1c1c(O)c3c(c(CC=C(C)C)c1O2)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O

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found in taxon

Garcinia hanburyi

2 references

stated in

Cytotoxic xanthones from Garcinia hanburyi

stated in

Cytotoxic polyprenylated xanthones from the resin of Garcinia hanburyi

Identifiers

InChI

InChI=1S/C38H44O8/c1-18(2)9-10-23-31-27(24-17-36(8,44-31)13-12-22(24)19(3)4)30(40)28-29(39)25-15-21-16-26-35(6,7)46-37(33(21)41,14-11-20(5)34(42)43)38(25,26)45-32(23)28/h9,11,15,21-22,24,26,40H,3,10,12-14,16-17H2,1-2,4-8H3,(H,42,43)/b20-11-/t21-,22-,24+,26+,36+,37+,38-/m1/s1

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InChIKey

NVYMXCXFPJLTOZ-DRALSOHGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NVYMXCXFPJLTOZ-DRALSOHGSA-N

(Q105186482)

(Z)-4-[(1S,2S,8S,11S,12S,19S,21R)-14-hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-enyl)-16,20-dioxo-11-prop-1-en-2-yl-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid

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Identifiers

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