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Structure

4-Pregnene-17,20beta,21-triol-3-one

CAS
128-19-8
Catalog Number
ACM128198
Category
Steroidal Compounds
Molecular Weight
348.48
Molecular Formula
C21H32O4

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What is the molecular weight of 4-Pregnene-17,20beta,21-triol-3-one?

The molecular weight of 4-Pregnene-17,20beta,21-triol-3-one is 348.5 g/mol.

What is the IUPAC Name of 4-Pregnene-17,20beta,21-triol-3-one?

The IUPAC Name of 4-Pregnene-17,20beta,21-triol-3-one is (8R,9S,10R,13S,14S,17S)-17-[(1R)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

What is the InChI of 4-Pregnene-17,20beta,21-triol-3-one?

The InChI of 4-Pregnene-17,20beta,21-triol-3-one is InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1.

What is the InChIKey of 4-Pregnene-17,20beta,21-triol-3-one?

The InChIKey of 4-Pregnene-17,20beta,21-triol-3-one is XNFSGLNHLVHCFT-SRWWVFQWSA-N.

What is the Canonical SMILES of 4-Pregnene-17,20beta,21-triol-3-one?

The Canonical SMILES of 4-Pregnene-17,20beta,21-triol-3-one is CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(CO)O)O)C.

How many hydrogen bond donor count does 4-Pregnene-17,20beta,21-triol-3-one have?

4-Pregnene-17,20beta,21-triol-3-one has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor count does 4-Pregnene-17,20beta,21-triol-3-one have?

4-Pregnene-17,20beta,21-triol-3-one has 4 hydrogen bond acceptor counts.

How many rotatable bond count does 4-Pregnene-17,20beta,21-triol-3-one have?

4-Pregnene-17,20beta,21-triol-3-one has 2 rotatable bond counts.

What is the topological polar surface area of 4-Pregnene-17,20beta,21-triol-3-one?

The topological polar surface area of 4-Pregnene-17,20beta,21-triol-3-one is 77.8Ų.

How many defined atom stereocenter counts does 4-Pregnene-17,20beta,21-triol-3-one have?

4-Pregnene-17,20beta,21-triol-3-one has 7 defined atom stereocenter counts.

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