(2′R,3aS,4E,6′R,11R,12R,13S,14R,15R,16S,17R,18E,22S,26S,27aS,28R)-13-[[(2S,5S,6S)-5-(Dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-2,3,3′,3a,4′,5′,6,6′,7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-11,12,14,16,17,27a-hexahydroxy-6′-[(2R)-2-hydroxybutyl]-2,2,11,15,17,28-hexamethylspiro[22,26-methano-20H,24H-furo[2,3-h][1,5]dioxacyclohexacosin-24,2′-[2H]pyran]-20-one

CAS Registry Number®

2057463-74-6

CAS Name

(2′R,3aS,4E,6′R,11R,12R,13S,14R,15R,16S,17R,18E,22S,26S,27aS,28R)-13-[[(2S,5S,6S)-5-(Dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-2,3,3′,3a,4′,5′,6,6′,7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-11,12,14,16,17,27a-hexahydroxy-6′-[(2R)-2-hydroxybutyl]-2,2,11,15,17,28-hexamethylspiro[22,26-methano-20H,24H-furo[2,3-h][1,5]dioxacyclohexacosin-24,2′-[2H]pyran]-20-one

Molecular Formula

C49H85NO14

Molecular Mass

912.20

Cite this Page

(2′R,3aS,4E,6′R,11R,12R,13S,14R,15R,16S,17R,18E,22S,26S,27aS,28R)-13-[[(2S,5S,6S)-5-(Dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-2,3,3′,3a,4′,5′,6,6′,7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-11,12,14,16,17,27a-hexahydroxy-6′-[(2R)-2-hydroxybutyl]-2,2,11,15,17,28-hexamethylspiro[22,26-methano-20H,24H-furo[2,3-h][1,5]dioxacyclohexacosin-24,2′-[2H]pyran]-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11015-84-2 (retrieved 2025-01-07) (CAS RN: 2057463-74-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-187 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15+,25-22+/t30-,31+,32-,33+,34+,35+,36-,37-,38-,40-,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1

InChIKey

InChIKey=XGECDDPXIKFBTE-AUFVQPSPSA-N

SMILES

C([C@@H](CC)O)[C@@H]1O[C@@]2(O[C@]3(C[C@@]4(O)[C@@](CC(C)(C)O4)(/C=C/CCCCC[C@@](C)(O)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@@H](N(C)C)CC5)[C@H](O)[C@@H](C)[C@H](O)[C@](C)(O)\C=C\C(=O)O[C@@](C2)([C@@H]3C)[H])[H])[H])CCC1

Canonical SMILES

O=C1OC2CC3(OC(CCC3)CC(O)CC)OC(CC4(O)OC(C)(C)CC4C=CCCCCCC(O)(C)C(O)C(OC5OC(C)C(N(C)C)CC5)C(O)C(C)C(O)C(O)(C=C1)C)C2C

Other Names for this Substance

  • Spiro[22,26-methano-20H,24H-furo[2,3-h][1,5]dioxacyclohexacosin-24,2′-[2H]pyran]-20-one, 13-[[(2S,5S,6S)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-2,3,3′,3a,4′,5′,6,6′,7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-11,12,14,16,17,27a-hexahydroxy-6′-[(2R)-2-hydroxybutyl]-2,2,11,15,17,28-hexamethyl-, (2′R,3aS,4E,6′R,11R,12R,13S,14R,15R,16S,17R,18E,22S,26S,27aS,28R)-
  • (2′R,3aS,4E,6′R,11R,12R,13S,14R,15R,16S,17R,18E,22S,26S,27aS,28R)-13-[[(2S,5S,6S)-5-(Dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-2,3,3′,3a,4′,5′,6,6′,7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-11,12,14,16,17,27a-hexahydroxy-6′-[(2R)-2-hydroxybutyl]-2,2,11,15,17,28-hexamethylspiro[22,26-methano-20H,24H-furo[2,3-h][1,5]dioxacyclohexacosin-24,2′-[2H]pyran]-20-one
  • Ossamycin
  • NSC 76627

Deleted or Replaced CAS Registry Numbers

11015-84-2

CAS INSIGHTSTM
A collage showcasing diverse technology, including gadgets, devices, and innovative tools in a vibrant arrangement.