(Q104396489)

English

[(1R,2R,6R,11R,13S,15S,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate

group of stereoisomers with the chemical formula C₃₇H₄₀O₉

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instance of

group of stereoisomers

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628.2672328599999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₄₀O₉

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canonical SMILES

O=C(OCC1=CC2C3OC4(OC3(C(=C)C)CC(C)C2(O4)C5C=C(C(=O)C5(O)C1)C)CC=6C=CC=CC6)CC7=CC=C(O)C(OC)=C7

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isomeric SMILES

C=C(C)[C@@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1C3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2

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Identifiers

InChI

InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27?,30-,33-,34-,35+,36-,37-/m1/s1

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InChIKey

DSDNAKHZNJAGHN-WLJYXNHNSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DSDNAKHZNJAGHN-WLJYXNHNSA-N

1 reference

(Q104396489)

[(1R,2R,6R,11R,13S,15S,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate

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