21-Oxolup-18-ene-3b,28-diyl diac

• CAS: 139255-65-5
• Catalog Number: ACM139255655
• Category: Steroidal Compounds
• Molecular Weight: 540.8
• Molecular Formula: C₃₄H₅₂O₅

Custom Q&A

What is the molecular formula of 21-Oxolup-18-ene-3b,28-diyl diac?

The molecular formula is C34H52O5.

What is the molecular weight of 21-Oxolup-18-ene-3b,28-diyl diac?

The molecular weight is 540.8 g/mol.

What is the IUPAC name of 21-Oxolup-18-ene-3b,28-diyl diac?

The IUPAC name is [(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-3a-yl]methyl acetate.

What is the InChI of 21-Oxolup-18-ene-3b,28-diyl diac?

The InChI is InChI=1S/C34H52O5/c1-20(2)28-24(37)18-34(19-38-21(3)35)17-16-32(8)23(29(28)34)10-11-26-31(7)14-13-27(39-22(4)36)30(5,6)25(31)12-15-33(26,32)9/h20,23,25-27H,10-19H2,1-9H3/t23-,25+,26-,27+,31+,32-,33-,34+/m1/s1.

What is the InChIKey of 21-Oxolup-18-ene-3b,28-diyl diac?

The InChIKey is ZKVXQDWHRXJZGK-XUZHXVEESA-N.

What is the canonical SMILES of 21-Oxolup-18-ene-3b,28-diyl diac?

The canonical SMILES is CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)COC(=O)C)C)C)(C)C)OC(=O)C)C.

What is the isomeric SMILES of 21-Oxolup-18-ene-3b,28-diyl diac?

The isomeric SMILES is CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1=O)COC(=O)C)C)C)(C)C)OC(=O)C)C.

What is the XLogP3-AA value of 21-Oxolup-18-ene-3b,28-diyl diac?

The XLogP3-AA value is 7.5.

How many hydrogen bond donor counts does 21-Oxolup-18-ene-3b,28-diyl diac have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 21-Oxolup-18-ene-3b,28-diyl diac have?

It has 5 hydrogen bond acceptor counts.