(Q105175952)

English

(2Z)-2-methyl-6-[(3R,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid

group of stereoisomers with the chemical formula C₃₀H₄₆O₃

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

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inferred from

cycloartane triterpenoid

mass

454.34469533199996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₃

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC4C(C(=O)CCC54CC35CCC12C)(C)C)C

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isomeric SMILES

C/C(=C/CCC(C)[C@H]1CCC2(C)C3CCC4C(C)(C)C(=O)CC[C@@]45CC35CC[C@]12C)C(=O)O

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Identifiers

InChI

InChI=1S/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9-/t19?,21-,22?,23?,27-,28?,29-,30?/m1/s1

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InChIKey

MZPNVEOVZSHYMZ-VSHYSRNVSA-N

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PubChem CID

5319261

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MZPNVEOVZSHYMZ-VSHYSRNVSA-N

1 reference

(Q105175952)

(2Z)-2-methyl-6-[(3R,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid

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