Herboxidiene

CAS Registry Number®

142861-00-5
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CAS Name

Herboxidiene

Molecular Formula

C25H42O6

Molecular Mass

438.60

Cite this Page

Herboxidiene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=142861-00-5 (retrieved 2024-05-03) (CAS RN: 142861-00-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1

InChIKey

InChIKey=ISZXEMUWHQLLTC-LSIVYLFASA-N

SMILES

[C@H]([C@H]([C@@H](C)O)OC)(C)[C@@]1([C@](C[C@@H](/C=C/C=C(\C)/[C@H]2O[C@@H](CC(O)=O)CC[C@@H]2C)C)(C)O1)[H]

Canonical SMILES

O=C(O)CC1OC(C(=CC=CC(C)CC2(OC2C(C)C(OC)C(O)C)C)C)C(C)CC1

Other Names for this Substance

  • L-glycero-L-gluco-Heptitol, 5,6-anhydro-6-C-[(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)tetrahydro-3-methyl-2H-pyran-2-yl]-2-methyl-3,5-heptadien-1-yl]-1,4,7-trideoxy-4-methyl-3-O-methyl-
  • L-glycero-L-gluco-Heptitol, 5,6-anhydro-6-C-[(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)tetrahydro-3-methyl-2H-pyran-2-yl]-2-methyl-3,5-heptadienyl]-1,4,7-trideoxy-4-methyl-3-O-methyl-
  • 5,6-Anhydro-6-C-[(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)tetrahydro-3-methyl-2H-pyran-2-yl]-2-methyl-3,5-heptadien-1-yl]-1,4,7-trideoxy-4-methyl-3-O-methyl-L-glycero-L-gluco-heptitol
  • Herboxidiene
  • Tan 1609

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Deleted or Replaced CAS Registry Numbers

155973-94-7

CAS INSIGHTSTM
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