(Q105180117)

English

(2E,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-5-yl]-2-methylhept-2-enoic acid

chemical compound

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type of chemical entity

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subclass of

(Z,6R)-6-[(4R,5R,8R,12R,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

6-[13-(2-Carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.3396099519999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(Z,6R)-6-[(1S,4R,5R,8S,9R,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC(C(=C)C)C4(CCC(=O)O)CC34CCC12C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O

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Identifiers

InChI

InChI=1S/C30H46O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9,20,22-24H,1,7-8,10-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9+/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

NJFOSFIPGRXARF-YNPQANPXSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

NJFOSFIPGRXARF-YNPQANPXSA-N

1 reference

(Q105180117)

(2E,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-5-yl]-2-methylhept-2-enoic acid

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