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CAS 871360-33-7

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Also known as: 871360-33-7, Methyl 2-((2r,4as,6s,7s,8r,8ar)-7,8- dihydroxy-6-((s,e)-1-hydroxy-3- (trimethylsilyl)allyl)octahydropyrano[3,2 -b]pyran-2-yl)acetate, Schembl14403731, Methyl 2-[(2r,4as,6s,7s,8r,8ar)-7,8-dihydroxy-6-[(1s,2e)-1-hydroxy-3-(trimethylsilyl)prop-2-en-1-yl]-octahydropyrano[3,2-b]pyran-2-yl]acetate, L-arabino-d-allo-tridec-12-enonic acid, 3,7:6,10-dianhydro-2,4,5,12,13-pentadeoxy-13-(trimethylsilyl)-, methyl ester, (12e)-, G72997

Molecular Formula

C₁₇H₃₀O₇Si

Molecular Weight

374.5 g/mol

InChI Key

HUFKGJIHAXCDPH-FTBLZJNFSA-N

1 2D Structure

CAS 871360-33-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

2.1.2 InChI

InChI=1S/C17H30O7Si/c1-22-13(19)9-10-5-6-12-17(23-10)15(21)14(20)16(24-12)11(18)7-8-25(2,3)4/h7-8,10-12,14-18,20-21H,5-6,9H2,1-4H3/b8-7+/t10-,11+,12+,14+,15-,16+,17+/m1/s1

2.1.3 InChI Key

HUFKGJIHAXCDPH-FTBLZJNFSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 871360-33-7

2. Methyl 2-((2r,4as,6s,7s,8r,8ar)-7,8- Dihydroxy-6-((s,e)-1-hydroxy-3- (trimethylsilyl)allyl)octahydropyrano[3,2 -b]pyran-2-yl)acetate

3. Schembl14403731

4. Methyl 2-[(2r,4as,6s,7s,8r,8ar)-7,8-dihydroxy-6-[(1s,2e)-1-hydroxy-3-(trimethylsilyl)prop-2-en-1-yl]-octahydropyrano[3,2-b]pyran-2-yl]acetate

5. L-arabino-d-allo-tridec-12-enonic Acid, 3,7:6,10-dianhydro-2,4,5,12,13-pentadeoxy-13-(trimethylsilyl)-, Methyl Ester, (12e)-

6. G72997

2.3 Create Date

2013-03-21

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₀O₇Si
Molecular Weight	374.5 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	105
Heavy Atom Count	25
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1