(Q105280080)

English

(2S,8R,17S)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione

group of stereoisomers with the chemical formula C₃₈H₄₆O₆

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Statements

instance of

group of stereoisomers

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subclass of

2,6-dimethyloctane monoterpenoid

1 reference

inferred from

2,6-dimethyloctane monoterpenoid

mass

598.329439192 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₈H₄₆O₆

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canonical SMILES

O=C1C2=C(O)C=3C=CC(OC3C(=C2OC45C1=CC6C(=O)C5(OC(C)(C)C4C6)CC=C(C)C)CC=C(C)C)(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4CC1C(C)(C)OC2(CC=C(C)C)C4=O)C3=O

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Identifiers

InChI

InChI=1S/C38H46O6/c1-21(2)11-10-16-36(9)17-15-25-30(39)29-31(40)27-19-24-20-28-35(7,8)44-37(34(24)41,18-14-23(5)6)38(27,28)43-33(29)26(32(25)42-36)13-12-22(3)4/h11-12,14-15,17,19,24,28,39H,10,13,16,18,20H2,1-9H3/t24-,28?,36-,37?,38-/m1/s1

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InChIKey

UVSUFYGCWITFIZ-HHTAKYNCSA-N

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PubChem CID

102004809

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UVSUFYGCWITFIZ-HHTAKYNCSA-N

1 reference

(Q105280080)

(2S,8R,17S)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione

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