[2,10-Diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-5,13-dihydroxy-4,16,17,17-tetramethyl-3-oxo-8-oxapentacyclo[11.3.1.01,11.04,11.07,10]heptadecan-12-yl] benzoate
Properties
- Molecular formula
- C47H51NO14
- Molar mass
- 853.92 g/mol
- Exact mass
- 853.3310 Da
- logP
- 3.43Crippen estimate
- Polar surface area
- 221.3 Ų
- H-bond donors / acceptors
- 4 / 14
- Rotatable bonds
- 10
Identifiers
CAS number
146139-03-9SMILES
CC1C(CC2(C(C34C1(C2(C)C)C(C(=O)C3(C(CC5C4(CO5)OC(=O)C)O)C)OC(=O)C)OC(=O)C6=CC=CC=C6)O)OC(=O)C(C(C7=CC=CC=C7)NC(=O)C8=CC=CC=C8)OInChIKey
DVCCAPSSSZMPLX-UHFFFAOYSA-NInChI
InChI=1S/C47H51NO14/c1-25-31(60-40(56)35(52)34(28-16-10-7-11-17-28)48-38(54)29-18-12-8-13-19-29)23-44(57)41(61-39(55)30-20-14-9-15-21-30)47-43(6,32(51)22-33-45(47,24-58-33)62-27(3)50)36(53)37(59-26(2)49)46(25,47)42(44,4)5/h7-21,25,31-35,37,41,51-52,57H,22-24H2,1-6H3,(H,48,54)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3H-4,7A-Methanocyclohept[3,3A]indeno[5,4-B]oxete benzenepropanoic acid derivative
Work with [2,10-Diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-5,13-dihydroxy-4,16,17,17-tetramethyl-3-oxo-8-oxapentacyclo[11.3.1.01,11.04,11.07,10]heptadecan-12-yl] benzoate
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds