4Alpha-phorbol 12,13-dibutyrate

CAS

93781-54-5

Catalog Number

ACM93781545

Category

Other Products

Molecular Weight

504.61

Molecular Formula

C₂₈H₄₀O₈

MSDS COA Spec Sheet

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Specification

Synonyms

4ALPHA-PHORBOL 12,13-DIBUTYRATE;4ALPHA-PDBU;4A-PHORBOL 12,13-DIBUTYRATE, 99+%

Appearance

Off-white to yellow powder

What is the molecular formula of 4Alpha-phorbol 12,13-dibutyrate?

The molecular formula of 4Alpha-phorbol 12,13-dibutyrate is C28H40O8.

What is the molecular weight of 4Alpha-phorbol 12,13-dibutyrate?

The molecular weight of 4Alpha-phorbol 12,13-dibutyrate is 504.6 g/mol.

What is the IUPAC name of 4Alpha-phorbol 12,13-dibutyrate?

The IUPAC name of 4Alpha-phorbol 12,13-dibutyrate is [(1S,2S,6S,10S,11R,13S,14R,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.0 2,6 .0 11,13 ]pentadeca-3,8-dienyl] butanoate.

What is the InChI of 4Alpha-phorbol 12,13-dibutyrate?

The InChI of 4Alpha-phorbol 12,13-dibutyrate is InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26+,27-,28-/m1/s1.

What is the InChIKey of 4Alpha-phorbol 12,13-dibutyrate?

The InChIKey of 4Alpha-phorbol 12,13-dibutyrate is BQJRUJTZSGYBEZ-NQGQECDZSA-N.

What is the canonical SMILES of 4Alpha-phorbol 12,13-dibutyrate?

The canonical SMILES of 4Alpha-phorbol 12,13-dibutyrate is CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C.

What is the XLogP3-AA value of 4Alpha-phorbol 12,13-dibutyrate?

The XLogP3-AA value of 4Alpha-phorbol 12,13-dibutyrate is 2.

How many hydrogen bond donor counts are there in 4Alpha-phorbol 12,13-dibutyrate?

There are 3 hydrogen bond donor counts in 4Alpha-phorbol 12,13-dibutyrate.

How many hydrogen bond acceptor counts are there in 4Alpha-phorbol 12,13-dibutyrate?

There are 8 hydrogen bond acceptor counts in 4Alpha-phorbol 12,13-dibutyrate.

How many rotatable bond counts are there in 4Alpha-phorbol 12,13-dibutyrate?

There are 9 rotatable bond counts in 4Alpha-phorbol 12,13-dibutyrate.