(Q105007435)

English

(E)-4-[(8S)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

group of stereoisomers with the chemical formula C₃₈H₄₄O₈

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Statements

instance of

group of stereoisomers

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subclass of

2,6-dimethyloctane monoterpenoid

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inferred from

2,6-dimethyloctane monoterpenoid

mass

628.303618368 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₈H₄₄O₈

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canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(C=C4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC431)CC=C(C)C)(C)CCC=C(C)C)C2=O)C

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isomeric SMILES

CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(C/C=C(\C)C(=O)O)C4=O)C3=O

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Identifiers

InChI

InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13+/t23?,27?,36-,37?,38?/m0/s1

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InChIKey

GEZHEQNLKAOMCA-ZDAIFSTISA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

GEZHEQNLKAOMCA-ZDAIFSTISA-N

1 reference

(Q105007435)

(E)-4-[(8S)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

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Identifiers

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