Estriol triacetate

CAS

2284-32-4

Catalog Number

ACM2284324

Category

Steroidal Compounds

Molecular Weight

414.49

Molecular Formula

C₂₄H₃₀O₆

MSDS COA Spec Sheet

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Specification

Synonyms

ESTRIOL TRIACETATE;1,3,5(10)-ESTRATRIEN-3,16-ALPHA, 17-BETA-TRIOL TRIACETATE;1,3,5(10)-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL 3,16,17-TRIACETATE;estra-1,3,5(10)-triene-3,16-alpha,17-beta-triol,triacetate(ester);oestrioltriacetate;Estra-1,3,5(10)-triene-3,16α,

IUPAC Name

[(8R,9S,13S,14S,16R,17R)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]acetate

Canonical SMILES

CC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)OC(=O)C

InChI Key

DKZPDNPWKHTWCC-YYTJJFCCSA-N

Exact Mass

414.20400

What is the PubChem CID of Estriol triacetate?

The PubChem CID of Estriol triacetate is 15125811.

What is the molecular formula of Estriol triacetate?

The molecular formula of Estriol triacetate is C24H30O6.

What is the molecular weight of Estriol triacetate?

The molecular weight of Estriol triacetate is 414.5 g/mol.

What is the IUPAC name of Estriol triacetate?

The IUPAC name of Estriol triacetate is [(8R,9S,13S,14S,16R,17R)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate.

What is the InChI of Estriol triacetate?

The InChI of Estriol triacetate is InChI=1S/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-20-19(18)9-10-24(4)21(20)12-22(29-14(2)26)23(24)30-15(3)27/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3/t19-,20-,21+,22-,23+,24+/m1/s1.

What is the InChIKey of Estriol triacetate?

The InChIKey of Estriol triacetate is DKZPDNPWKHTWCC-YYTJJFCCSA-N.

What are the synonyms for Estriol triacetate?

The synonyms for Estriol triacetate are Estriol triacetate, Oestriol triacetate, and Estriol 3,16,17-triacetate.

What is the CAS number of Estriol triacetate?

The CAS number of Estriol triacetate is 2284-32-4.

What is the XLogP3 value of Estriol triacetate?

The XLogP3 value of Estriol triacetate is 3.7.

How many hydrogen bond donor atoms does Estriol triacetate have?

Estriol triacetate does not have any hydrogen bond donor atoms.