2-Debenzoyl-2-tigloyl 10-dab

• CAS: 171926-87-7
• Catalog Number: ACM171926877
• Category: Other Products
• Molecular Weight: 522.58462
• Molecular Formula: C₂₇H₃₈O₁₀
• Synonyms: (2E)-2-Methyl-2-butenoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-; 12b-(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetraMethyl-5-oxo-7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-12-yl Ester;2-Debenzoyl-2-tigloyl 10-DAB;2-Debenzoyl-2-tigloyl 10-Deacetyl Baccatin III;10-Deacetyl-2-Debenzoyl-2-Tigloyl-Baccatin III

Custom Q&A

What is the molecular formula of 2-Debenzoyl-2-tigloyl 10-dab?

The molecular formula is C27H38O10.

When was 2-Debenzoyl-2-tigloyl 10-dab created and modified in PubChem?

It was created on 2013-05-17 and last modified on 2023-12-30.

What is the IUPAC name of 2-Debenzoyl-2-tigloyl 10-dab?

The IUPAC name is [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] (E)-2-methylbut-2-enoate.

What is the InChI of 2-Debenzoyl-2-tigloyl 10-dab?

The InChI is InChI=1S/C27H38O10/c1-8-12(2)23(33)36-22-20-25(7,16(30)9-17-26(20,11-35-17)37-14(4)28)21(32)19(31)18-13(3)15(29)10-27(22,34)24(18,5)6/h8,15-17,19-20,22,29-31,34H,9-11H2,1-7H3/b12-8+/t15-,16-,17+,19+,20-,22-,25+,26-,27+/m0/s1.

What is the Canonical SMILES of 2-Debenzoyl-2-tigloyl 10-dab?

The Canonical SMILES is CC=C(C)C(=O)OC1C2C(C(CC3C2(CO3)OC(=O)C)O)(C(=O)C(C4=C(C(CC1(C4(C)C)O)O)C)O)C.

How many hydrogen bond donor counts does 2-Debenzoyl-2-tigloyl 10-dab have?

It has 4 hydrogen bond donor counts.

What is the topological polar surface area of 2-Debenzoyl-2-tigloyl 10-dab?

The topological polar surface area is 160 Ų.

What is the exact mass of 2-Debenzoyl-2-tigloyl 10-dab?

The exact mass is 522.24649740 g/mol.

How many defined atom stereocenters does 2-Debenzoyl-2-tigloyl 10-dab have?

It has 9 defined atom stereocenters.

What is the complexity value of 2-Debenzoyl-2-tigloyl 10-dab?

The complexity value is 1090.