Alborixin

CAS Registry Number®

57760-36-8
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CAS Name

Alborixin

Molecular Formula

C48H84O14

Molecular Mass

885.17

Cite this Page

Alborixin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57760-36-8 (retrieved 2024-06-26) (CAS RN: 57760-36-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100-103 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C48H84O14/c1-13-38-43(10,53)18-17-39(58-38)44(11)23-30(7)48(56,62-44)45(12)19-16-35(59-45)41(50)47(55)29(6)21-26(3)37(61-47)24-46(54)28(5)14-15-34(60-46)31(8)33(49)22-36-25(2)20-27(4)40(57-36)32(9)42(51)52/h25-41,49-50,53-56H,13-24H2,1-12H3,(H,51,52)/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40+,41-,43-,44+,45+,46-,47-,48-/m1/s1

InChIKey

InChIKey=WWDHGOLBPBWCNJ-GXXSWWTOSA-N

SMILES

O[C@]1(O[C@@](C)(C[C@H]1C)[C@@]2(O[C@@H](CC)[C@](C)(O)CC2)[H])[C@@]3(C)O[C@]([C@@H](O)[C@]4(O)O[C@H](C[C@@]5(O)O[C@@]([C@H]([C@@H](C[C@@H]6O[C@]([C@H](C(O)=O)C)([C@@H](C)C[C@H]6C)[H])O)C)(CC[C@@H]5C)[H])[C@@H](C)C[C@H]4C)(CC3)[H]

Canonical SMILES

O=C(O)C(C)C1OC(CC(O)C(C)C2OC(O)(CC3OC(O)(C(O)C4OC(C)(CC4)C5(O)OC(C)(CC5C)C6OC(CC)C(O)(C)CC6)C(C)CC3C)C(C)CC2)C(C)CC1C

Other Names for this Substance

  • 2H-Pyran-2-acetic acid, 6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,2′R,3′R,5S,5′S)-5′-[(2R,5R,6S)-6-ethyltetrahydro-5-hydroxy-5-methyl-2H-pyran-2-yl]octahydro-2′-hydroxy-2,3′,5′-trimethyl[2,2′-bifuran]-5-yl]hydroxymethyl]tetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl]methyl]tetrahydro-6-hydroxy-5-methyl-2H-pyran-2-yl]-2-hydroxybutyl]tetrahydro-α,3,5-trimethyl-, (αR,2S,3S,5R,6S)-
  • Alborixin
  • (αR,2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,2′R,3′R,5S,5′S)-5′-[(2R,5R,6S)-6-Ethyltetrahydro-5-hydroxy-5-methyl-2H-pyran-2-yl]octahydro-2′-hydroxy-2,3′,5′-trimethyl[2,2′-bifuran]-5-yl]hydroxymethyl]tetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl]methyl]tetrahydro-6-hydroxy-5-methyl-2H-pyran-2-yl]-2-hydroxybutyl]tetrahydro-α,3,5-trimethyl-2H-pyran-2-acetic acid
  • Antibiotic S 14750A
  • Stereoisomer of 6-[3-[6-[[6-[[5′-(6-ethyltetrahydro-5-hydroxy-5-methyl-2H-pyran-2-yl)octahydro-2′-hydroxy-2,3′,5′-trimethyl[2,2′-bifuran]-5-yl]hydroxymethyl]tetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl]methyl]tetrahydro-6-hydroxy-5-methyl-2H-pyran-2-yl]-2-hydroxybutyl]tetrahydro-α,3,5-trimethyl-2H-pyran-2-acetic acid

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