(Q105176012)

English

(1S,2S,5S,6S,7S,9R)-5,7-bis(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl pyridine-3-carboxylate

group of stereoisomers with the chemical formula C₃₅H₃₇NO₈

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instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

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inferred from

eudesmane sesquiterpenoid

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599.2519171439999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₃₇NO₈

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canonical SMILES

O=C(OC1CCC(O)(C)C23OC(C)(C)C(CC(OC(=O)C=4C=CC=CC4)C12C)C3OC(=O)C=5C=NC=CC5)C=6C=CC=CC6

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isomeric SMILES

CC1(C)O[C@]23C(OC(=O)c4cccnc4)[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)[C@@H](OC(=O)c1ccccc1)CC[C@]3(C)O

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Identifiers

InChI

InChI=1S/C35H37NO8/c1-32(2)25-20-27(42-30(38)23-14-9-6-10-15-23)34(4)26(41-29(37)22-12-7-5-8-13-22)17-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-11-19-36-21-24/h5-16,19,21,25-28,40H,17-18,20H2,1-4H3/t25-,26+,27+,28?,33+,34+,35+/m1/s1

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InChIKey

MZSHQEJWMYSZEP-RUPBAICDSA-N

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Probes And Drugs ID

PD127215

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(Q105176012)

(1S,2S,5S,6S,7S,9R)-5,7-bis(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl pyridine-3-carboxylate

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