Ecteinascidin 770

Catalog Number	ACM114899808
CAS Number	114899-80-8
Synonyms	Trabectedin intermediates N-1
Molecular Weight	770.8
InChI	InChI=1S/C40H42N4O10S/c1-17-9-21-10-23-24(13-41)44-25-14-51-39(48)40(22-12-27(49-5)26(46)11-20(22)7-8-42-40)15-55-38(32(44)31(43(23)4)28(21)33(47)34(17)50-6)30-29(25)37-36(52-16-53-37)18(2)35(30)54-19(3)45/h9,11-12,23-25,31-32,38,42,46-47H,7-8,10,14-16H2,1-6H3/t23-,24-,25-,31+,32+,38+,40+/m0/s1
InChI Key	BGFXHQYUWCGGLL-QWIBJBKUSA-N
Purity	95%+
Complexity	1550
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Exact Mass	770.26216472
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	3
Isomeric SMILES	CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)C#N)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
Monoisotopic Mass	770.26216472
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	198 Ų

Custom Q&A

What is the molecular formula of Ecteinascidin 770?

The molecular formula of Ecteinascidin 770 is C40H42N4O10S.

What is the molecular weight of Ecteinascidin 770?

The molecular weight of Ecteinascidin 770 is 770.85.

What is the CAS number of Ecteinascidin 770?

The CAS number of Ecteinascidin 770 is 114899-80-8.

What is the density of Ecteinascidin 770?

The density of Ecteinascidin 770 is 1.53 ± 0.1 g/cm3 (Predicted).

What is the storage temperature recommended for Ecteinascidin 770?

The recommended storage temperature for Ecteinascidin 770 is -20°C, protected from light.

In what solvent is Ecteinascidin 770 soluble?

Ecteinascidin 770 is soluble in DMSO (Dimethyl sulfoxide).

What is the pka value of Ecteinascidin 770?

The pka value of Ecteinascidin 770 is 9.65 ± 0.40 (Predicted).

How can Ecteinascidin 770 be useful?

Ecteinascidin 770 can be useful in the study of quinoline heterocyclic contg. plant and marine candidates against drug-resistant mycobacterium tuberculosis.

What are some potential synonyms for Ecteinascidin 770?

Some potential synonyms for Ecteinascidin 770 include Et-770, Ecteinascidine 770, and Trabectedin Intermediates N-1.

What is the chemical structure of Ecteinascidin 770?

The chemical structure of Ecteinascidin 770 is Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinoline]-14-carbonitrile, 5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8-dihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-, (1'R,6R,6aR,7R,13S,14R,16R)-.

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