Thymeleatoxin

CAS

94402-56-1

Catalog Number

ACM94402561

Category

Other Products

Molecular Formula

C₃₆H₃₆O₁₀

MSDS COA Spec Sheet

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What is the molecular formula of thymeleatoxin?

The molecular formula of thymeleatoxin is C36H36O10.

What are the synonyms of thymeleatoxin?

The synonyms of thymeleatoxin are Daphnetoxin, 12-((1-oxo-3-phenyl-2-propenyl)oxy)-, (12beta)- and [(1S,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (E)-3-phenylprop-2-enoate.

What is the molecular weight of thymeleatoxin?

The molecular weight of thymeleatoxin is 628.7 g/mol.

What is the IUPAC name of thymeleatoxin?

The IUPAC name of thymeleatoxin is [(1S,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (E)-3-phenylprop-2-enoate.

What is the InChI of thymeleatoxin?

The InChI of thymeleatoxin is InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35-,36?/m1/s1.

What is the InChIKey of thymeleatoxin?

The InChIKey of thymeleatoxin is OTTFLYUONKAFGT-WOYWLKGSSA-N.

What is the canonical SMILES of thymeleatoxin?

The canonical SMILES of thymeleatoxin is CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C=CC8=CC=CC=C8.

How many hydrogen bond donor counts does thymeleatoxin have?

Thymeleatoxin has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does thymeleatoxin have?

Thymeleatoxin has 10 hydrogen bond acceptor counts.

How many rotatable bond counts does thymeleatoxin have?

Thymeleatoxin has 7 rotatable bond counts.

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