Methyl 3b-acetylbetulinate

CAS

4356-30-3

Catalog Number

ACM4356303

Category

Steroidal Compounds

Molecular Weight

512.7

Molecular Formula

C₃₃H₅₂O₄

MSDS COA Spec Sheet

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Specification

Synonyms

Lup-20(29)-en-28-oic acid,3-(acetyloxy)-,methyl ester,(3beta); Methyl 3-(acetyloxy)lup-20(29)-en-28-oate (3beta);

IUPAC Name

methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

Canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OC

InChI Key

FBSVHROTXUJUHS-ODLWIBRJSA-N

Exact Mass

512.38700

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Methyl 3b-acetylbetulinate?

The molecular formula of Methyl 3b-acetylbetulinate is C33H52O4.

What is the molecular weight of Methyl 3b-acetylbetulinate?

The molecular weight of Methyl 3b-acetylbetulinate is 512.8 g/mol.

When was Methyl 3b-acetylbetulinate first created?

Methyl 3b-acetylbetulinate was first created on February 16, 2015.

What is the IUPAC name of Methyl 3b-acetylbetulinate?

The IUPAC name of Methyl 3b-acetylbetulinate is methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate.

How many hydrogen bond acceptors are there in Methyl 3b-acetylbetulinate?

There are 4 hydrogen bond acceptors in Methyl 3b-acetylbetulinate.

What is the XLogP3-AA value of Methyl 3b-acetylbetulinate?

The XLogP3-AA value of Methyl 3b-acetylbetulinate is 9.1.

What is the Exact Mass of Methyl 3b-acetylbetulinate?

The Exact Mass of Methyl 3b-acetylbetulinate is 512.38656014 g/mol.

How many defined atom stereocenters are there in Methyl 3b-acetylbetulinate?

There are 10 defined atom stereocenters in Methyl 3b-acetylbetulinate.

Is Methyl 3b-acetylbetulinate a canonicalized compound?

Yes, Methyl 3b-acetylbetulinate is a canonicalized compound.

What is the InChIKey of Methyl 3b-acetylbetulinate?

The InChIKey of Methyl 3b-acetylbetulinate is FBSVHROTXUJUHS-GURJRTOWSA-N.