Dihydrocephalomannine

CAS Registry Number®

159001-25-9

CAS Name

Dihydrocephalomannine

Molecular Formula

C45H55NO14

Molecular Mass

833.92

Cite this Page

Dihydrocephalomannine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=159001-25-9 (retrieved 2024-11-08) (CAS RN: 159001-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=OKEKLOJNCOIPIT-UHFFFAOYSA-N

SMILES

O(C(C)=O)C12C3C(OC(=O)C4=CC=CC=C4)C5(O)C(C)(C)C(C(OC(C)=O)C(=O)C3(C)C(O)CC1OC2)=C(C)C(OC(C(C(NC(C(CC)C)=O)C6=CC=CC=C6)O)=O)C5

Canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(OC(=O)C)C4=C(C)C(OC(=O)C(O)C(NC(=O)C(C)CC)C=5C=CC=CC5)CC1(O)C4(C)C)C)C=6C=CC=CC6

Other Names for this Substance

  • 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)-
  • 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]]-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
  • Dihydrocephalomannine
  • N-Debenzoyl-N-α-methylbutyrylpaclitaxel

CAS INSIGHTSTM
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