Dihydrocephalomannin​e

CAS: 159001-25-9

Ref. TR-D448770

Product Information

• Name: Dihydrocephalomannin​e
• Synonyms: 2'',3''-Dihydrocephalomannine, N-Debenzoyl-N-a-methylbutyrylpaclitaxel, N-Debenzoyl-N-α-methylbutyrylpaclitaxel, Dihydrocephalomannine, Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxobutyl)amino]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-, Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxobutyl)amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-16,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-, 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.

Description

Impurity Paclitaxel - Impurity R
Applications Dihydrocephalomannine has been shown to reduce cytotoxicity and tubulin binding compared to Paclitaxel (P132500). Paclitaxel - Impurity R.
References Gabetta, B., et. al.: J. Nat. Prod., 62, 219 (1999)

• Brand: TRC

Chemical properties

• Molecular weight: 833.92
• Formula: C₄₅H₅₅NO₁₄
• Color/Form: Neat
• InChI: InChI=1S/C45H55NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h10-19,23,29-31,33-36,38,49-50,55H,9,20-22H2,1-8H3,(H,46,52)/t23?,29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
• InChI key: InChIKey=OKEKLOJNCOIPIT-DYYKUXGFSA-N
• SMILES: CCC(C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@@]31OC(C)=O