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Substance Name: ROP
RN: 57852-42-3
InChIKey: FFKXTXJQZGIKQZ-WAGMVDSNSA-N

Note

  • Daphnane ester.

Molecular Formula

  • C28-H32-O6

Molecular Weight

  • 464.555
 
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Names and Synonyms

Name of Substance

  • ROP

Systematic Name

  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 57852-42-3

System Generated Number

  • 0057852423

Structure Descriptors

InChI

1S/C28H32O6/c1-16(2)26-12-18(4)28-21(11-20(15-29)13-25(31)22(28)10-17(3)23(25)30)24(26)32-27(33-26,34-28)14-19-8-6-5-7-9-19/h5-11,18,21-22,24,29,31H,1,12-15H2,2-4H3/t18-,21+,22-,24-,25-,26-,27-,28-/m1/s1

InChIKey

FFKXTXJQZGIKQZ-WAGMVDSNSA-N

Smiles

O1[C@@]2(O[C@H]3[C@@]1(C[C@H]([C@@]1([C@H]3C=C(C[C@@]3(C(C(=C[C@@H]13)C)=O)O)CO)O2)C)C(=C)C)Cc1ccccc1