CAS
57671-19-9 Purity
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57671-19-9 Purity
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![7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]- oxete-4,5,6,9,11,12,12b-heptol,2a,3,4,4a,5,6,9,- 10,12,12a-decahydro-4a,8,13,13-tetramethyl-,4,5,6,9,12,12b-hexaacetate,(2aR,4S,4aS,5R,6R,- 9S,11S,12S,12aR,1](https://resource.alfa-chemistry.com/structure/57672-77-2.gif)
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Baccatin Vi
CAS
57672-79-4
Catalog Number
ACM57672794
Category
Other Products
Molecular Weight
714.76
Molecular Formula
C37H46O14
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Specification
Synonyms
(2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-2a,3,4,4a,5,6,9,10,12,12a-Decahydro
-4a,8,13,13-tetramethyl-4,5,6,9,12b-pentaacetate 12-Benzoate Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol;
-4a,8,13,13-tetramethyl-4,5,6,9,12b-pentaacetate 12-Benzoate Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol;
IUPAC Name
[(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Canonical SMILES
CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-37(44)32(50-33(43)24-13-11-10-12-14-24)30-35(9,26(47-20(3)39)15-27-36(30,17-45-27)51-23(6)42)31(49-22(5)41)29(48-21(4)40)28(18)34(37,7)8/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26-,27+,29+,30-,31-,32-,35+,36-,37+/m0/s1
InChI Key
UJFKTEIDORFVQS-SKNQRQHZSA-N
Appearance
Powder
Exact Mass
714.28900
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