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Substance Name: 2-Hydroxyestradiol-2,3-dibenzoate
RN: 79787-03-4
InChIKey: NOVIXZLQPTUFMC-VAXYPKBCSA-N

Molecular Weight

  • 496.6
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxyestradiol-2,3-dibenzoate

Synonym

  • 2-Hedb

Systematic Name

  • Estra-1,3,5(10)-triene-2,3,17-triol, 2,3-dibenzoate, (17beta)-

Registry Numbers

CAS Registry Number

  • 79787-03-4

System Generated Number

  • 0079787034

Structure Descriptors

InChI

1S/C32H32O5/c1-32-17-16-23-24(26(32)14-15-29(32)33)13-12-22-18-27(36-30(34)20-8-4-2-5-9-20)28(19-25(22)23)37-31(35)21-10-6-3-7-11-21/h2-11,18-19,23-24,26,29,33H,12-17H2,1H3/t23-,24+,26-,29-,32-/m0/s1

InChIKey

NOVIXZLQPTUFMC-VAXYPKBCSA-N

Smiles

c1(cc2c(cc1OC(=O)c1ccccc1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2O)OC(=O)c1ccccc1