(Q105137953)

English

(8aS,12aS)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one

group of stereoisomers with the chemical formula C₃₆H₂₈O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

1,1,2,5-tetramethylcyclohexane monoterpenoid

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inferred from

1,1,2,5-tetramethylcyclohexane monoterpenoid

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652.1580763359999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₆H₂₈O₁₂

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC=3C(O)=C(O)C=C(C13)C4C5=C(O)C(O)=C6OC=7C=C(O)C=C(O)C7C(=O)C6=C5C8C=C(C)CC(C)(C)C84

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isomeric SMILES

CC1=C[C@@H]2c3c(c(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)C(c3cc(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)[C@H]2C(C)(C)C1

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Identifiers

InChI

InChI=1S/C36H28O12/c1-11-4-15-21-26(32(45)33(46)35-27(21)31(44)25-17(40)6-13(38)8-20(25)48-35)22(28(15)36(2,3)10-11)14-9-18(41)29(42)34-23(14)30(43)24-16(39)5-12(37)7-19(24)47-34/h4-9,15,22,28,37-42,45-46H,10H2,1-3H3/t15-,22?,28+/m1/s1

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InChIKey

KAPVRSRPLHVWCH-XBPLZXOSSA-N

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PubChem CID

137705277

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KAPVRSRPLHVWCH-XBPLZXOSSA-N

(Q105137953)

(8aS,12aS)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one

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