35-Aminobacteriohopane-30,31,32,33,34-pentol

CAS Registry Number®

99541-79-4
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CAS Name

35-Aminobacteriohopane-30,31,32,33,34-pentol

Molecular Formula

C35H63NO5

Molecular Mass

577.88

Cite this Page

35-Aminobacteriohopane-30,31,32,33,34-pentol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99541-79-4 (retrieved 2024-09-20) (CAS RN: 99541-79-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H63NO5/c1-20(27(38)29(40)30(41)28(39)23(37)19-36)21-11-16-32(4)22(21)12-17-34(6)25(32)9-10-26-33(5)15-8-14-31(2,3)24(33)13-18-35(26,34)7/h20-30,37-41H,8-19,36H2,1-7H3/t20-,21+,22-,23-,24-,25+,26+,27+,28-,29+,30-,32-,33-,34+,35+/m0/s1

InChIKey

InChIKey=NSCULDDFRWOMLE-IYFNNQAXSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)CCC3)[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)CCCC(C)(C)C5CCC43C

Other Names for this Substance

  • D-erythro-D-allo-Octitol, 1-amino-1,7,8-trideoxy-7-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-A′-neo-22,29,30-trinorgammaceran-21-yl-D-erythro-D-allo-octitol
  • 35-Aminobacteriohopane-30R,31R,32R,33S,34S-pentol

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