(Q105016977)

English

(1R,3'R,3'aS,7'S,7'aR)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-[(2R)-2-methylbutanoyl]-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

chemical compound

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instance of

type of chemical entity

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subclass of

3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-(2-methylbutanoyl)-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

1 reference

based on heuristic

inferred from SMILES

(1R,3'R,3'aS,7'R,7'aR)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-(2-methylbutanoyl)-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

514.329439192 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3'R,3'aS,7'S,7'aR)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-[(2R)-2-methylbutanoyl]-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

1 reference

based on heuristic

inferred from InChI

(1S,3'R,3'aS,7'R,7'aR)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-[(2R)-2-methylbutanoyl]-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

1 reference

based on heuristic

inferred from InChI

(1R,3'R,3'aS,7'R,7'aR)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-[(2S)-2-methylbutanoyl]-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₆O₆

0 references

canonical SMILES

O=C(C=1C(=O)C2(C(=O)C(C1O)(CC=C(C)C)CC=C(C)C)CC3C(CCC3(O)C)C(O)(C)C2)C(C)CC

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isomeric SMILES

CC[C@@H](C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C1=O

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found in taxon

Hypericum ascyron

1 reference

stated in

Tomoeones A-H, cytotoxic phloroglucinol derivatives from Hypericum ascyron

Identifiers

InChI

InChI=1S/C31H46O6/c1-9-20(6)24(32)23-25(33)30(14-10-18(2)3,15-11-19(4)5)27(35)31(26(23)34)16-22-21(29(8,37)17-31)12-13-28(22,7)36/h10-11,20-22,33,36-37H,9,12-17H2,1-8H3/t20-,21-,22+,28-,29+,31+/m1/s1

(Q105016977)

(1R,3'R,3'aS,7'S,7'aR)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-[(2R)-2-methylbutanoyl]-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

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Identifiers

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