(Q105151551)

English

(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-(3-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-(3-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'S,3'aR,7'R,7'aS)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-(3-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-(3-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'S,3'aR,7'S,7'aS)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-(3-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

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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)CC(C)C

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isomeric SMILES

CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C(=O)C(C(=O)CC(C)C)=C1O

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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/c1-18(2)9-13-30(14-10-19(3)4)25(33)24(23(32)15-20(5)6)26(34)31(27(30)35)16-22-21(29(8,37)17-31)11-12-28(22,7)36/h9-10,20-22,33,36-37H,11-17H2,1-8H3/t21-,22+,28-,29+,31-/m1/s1

(Q105151551)

(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-(3-methylbutanoyl)-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

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