(Q105234020)

English

(2Z)-4-[(1S,2S,13S)-7-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid

group of stereoisomers with the chemical formula C₃₈H₄₆O₈

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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

630.3192684320001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₈H₄₆O₈

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canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(C=C4C(=O)C=5C(O)=C(C(O)=C(C5OC431)CC=C(C)C)CC=C(C)CCC=C(C)C)C2=O)C

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isomeric SMILES

CC(C)=CCC/C(C)=C\Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)OC(C/C=C(/C)C(=O)O)(C3=O)[C@@]14O2

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Identifiers

InChI

InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13-,23-16-/t24-,28+,37?,38-/m1/s1

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InChIKey

RCWNBHCZYXWDOV-WTDQAQHLSA-N

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PubChem CID

163193310

1 reference

based on heuristic

inferred from InChIKey

(Q105234020)

(2Z)-4-[(1S,2S,13S)-7-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid

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Identifiers

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