(Q110189848)

English

(E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-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-tetraen-19-yl]-2-methylbut-2-enal

group of stereoisomers with the chemical formula C₃₃H₃₈O₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

546.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₈O₇

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canonical SMILES

O=CC(=CCC12OC(C)(C)C3CC(C1=O)CC4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC432)CC=C(C)C)(C)C)C

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isomeric SMILES

CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(\C)C=O)C5=O)C3=O)C=CC(C)(C)O2

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found in taxon

Garcinia morella

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stated in

176. Morellin, a constituent of the seeds of Garcinia morella

Identifiers

InChI

InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,16,19,22-23,35H,9,13-15H2,1-7H3/b18-10+/t19-,22?,23+,32+,33-/m1/s1

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InChIKey

ORNMPVMTDJIPQS-XZCHLTMRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ORNMPVMTDJIPQS-XZCHLTMRSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

ORNMPVMTDJIPQS-XZCHLTMRSA-N

(Q110189848)

(E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-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-tetraen-19-yl]-2-methylbut-2-enal

Statements

Identifiers

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