(Q104399141)

English

N-[1-[(1S,9S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide

group of stereoisomers with the chemical formula C₃₆H₄₂N₂O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

630.294116304 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₆H₄₂N₂O₈

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canonical SMILES

CCC(C)C(=O)NC1CCCN1C(=O)C1C(c2ccccc2)C2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3C1(O)C2O

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isomeric SMILES

CCC(C)C(=O)NC1CCCN1C(=O)C1C(c2ccccc2)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@]1(O)C2O

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Identifiers

InChI

InChI=1S/C36H42N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h7-9,11-12,14-17,19-21,28-29,31,34,41-42H,6,10,13,18H2,1-5H3,(H,37,39)/t21?,28?,29?,31?,34?,35-,36-/m1/s1

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InChIKey

KPCVKSYNYMIDEN-KHCPWZFWSA-N

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PubChem CID

137705524

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KPCVKSYNYMIDEN-KHCPWZFWSA-N

(Q104399141)

N-[1-[(1S,9S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide

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