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Substance Name: Estrololactone
RN: 604-82-0
UNII: 4VR2FJ2C9D
InChIKey: FWJIMKYKNBCAJA-CBZIJGRNSA-N

Molecular Formula

  • C18-H22-O3

Molecular Weight

  • 286.3688
 
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Names and Synonyms

Name of Substance

  • Estrololactone

Synonyms

  • 17a-Oxa-D-homoestra-1,3,5(10)-trien-17-one, 3-hydroxy-
  • Estrololactone
  • NSC 12172
  • UNII-4VR2FJ2C9D

Systematic Name

  • 3-Hydroxy-D-homo-17a-oxaestra-1,3,5(10)-trien-17-one

Registry Numbers

CAS Registry Number

  • 604-82-0

FDA UNII

  • 4VR2FJ2C9D

System Generated Number

  • 0000604820

Structure Descriptors

InChI

1S/C18H22O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

InChIKey

FWJIMKYKNBCAJA-CBZIJGRNSA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC(=O)O2)O