1-Amino-1,7,8-trideoxy-7-[(3β)-3-methyl-A′-neo-22,29,30-trinorgammaceran-21-yl]-D-erythro-D-allo-octitol

CAS Registry Number®

99541-80-7

CAS Name

1-Amino-1,7,8-trideoxy-7-[(3β)-3-methyl-A′-neo-22,29,30-trinorgammaceran-21-yl]-D-erythro-D-allo-octitol

Molecular Formula

C36H65NO5

Molecular Mass

591.91

Cite this Page

1-Amino-1,7,8-trideoxy-7-[(3β)-3-methyl-A′-neo-22,29,30-trinorgammaceran-21-yl]-D-erythro-D-allo-octitol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99541-80-7 (retrieved 2024-11-26) (CAS RN: 99541-80-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H65NO5/c1-20-11-15-34(6)25(32(20,3)4)14-18-36(8)27(34)10-9-26-33(5)16-12-22(23(33)13-17-35(26,36)7)21(2)28(39)30(41)31(42)29(40)24(38)19-37/h20-31,38-42H,9-19,37H2,1-8H3/t20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,30+,31-,33-,34-,35+,36+/m0/s1

InChIKey

InChIKey=NYINOFIIAOPILH-DFPHJZBSSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](C)CC3)[H])(CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@@]5([C@@H]([C@H]([C@H]([C@H]([C@H]([C@H](CN)O)O)O)O)O)C)[H])[H])[H])[H]

Canonical SMILES

OC(CN)C(O)C(O)C(O)C(O)C(C)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCC(C)C(C)(C)C5CCC43C

Other Names for this Substance

  • D-erythro-D-allo-Octitol, 1-amino-1,7,8-trideoxy-7-[(3β)-3-methyl-A′-neo-22,29,30-trinorgammaceran-21-yl]-
  • 1H-Cyclopenta[a]chrysene, octitol deriv.
  • A′-Neo-22,29,30-trinorgammacerane, octitol deriv.
  • 1-Amino-1,7,8-trideoxy-7-[(3β)-3-methyl-A′-neo-22,29,30-trinorgammaceran-21-yl]-D-erythro-D-allo-octitol
  • 35-Amino-3β-methylbacteriohopane-30R,31R,32R,33S,34S-pentol

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