(Q105144789)

English

(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-(2-methylpropanoyl)-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-methylpropanoyl)-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

500.313789128 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-(2-methylpropanoyl)-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione

2 references

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

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

C₃₀H₄₄O₆

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)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)C(C)C)=C1O

0 references

found in taxon

Hypericum ascyron

1 reference

stated in

Tomoeones A-H, cytotoxic phloroglucinol derivatives from Hypericum ascyron

Identifiers

InChI

InChI=1S/C30H44O6/c1-17(2)9-13-29(14-10-18(3)4)24(32)22(23(31)19(5)6)25(33)30(26(29)34)15-21-20(28(8,36)16-30)11-12-27(21,7)35/h9-10,19-21,32,35-36H,11-16H2,1-8H3/t20-,21+,27-,28-,30+/m0/s1

(Q105144789)

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

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