Ortataxel
CAS Registry Number®
186348-23-2
CAS Name
OrtataxelMolecular Formula
C44H57NO17Molecular Mass
871.92Cite this Page
Ortataxel. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=186348-23-2 (retrieved ) (CAS RN: 186348-23-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
240-241 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1
InChIKey
InChIKey=BWKDAMBGCPRVPI-ZQRPHVBESA-N
SMILES
O(C(=O)C1=CC=CC=C1)[C@@H]2[C@]34[C@]([C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)CC(C)C)O)=O)C(C)=C([C@]3(C)C)[C@@H](OC(C)=O)C(=O)[C@@]5(C)[C@]2([C@@]6(OC(C)=O)[C@](OC6)(C[C@@H]5O)[H])[H])(OC(=O)O4)[H]
Canonical SMILES
O=C1OC2C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)CC(C)C)C(=C3C(OC(=O)C)C(=O)C4(C)C(O)CC5OCC5(OC(=O)C)C4C(OC(=O)C=6C=CC=CC6)C2(O1)C3(C)C)C
Other Names for this Substance
- Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2′′,3′′:5′,6′]benzo[1′,2′:4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)-
- Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, 7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2′′,3′′:5′,6′]benzo[1′,2′:4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, [3aS-[3aα,4α(2S*,3R*),7β,8aβ,9β,10aα,12aα,12bα,13α,13aβ]]-
- SB-T 101131
- IDN 5109
- BAY 59-8862
