Herbimycin A

CAS Registry Number®

70563-58-5
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CAS Name

Herbimycin A

Molecular Formula

C30H42N2O9

Molecular Mass

574.66

Cite this Page

Herbimycin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=70563-58-5 (retrieved 2024-04-20) (CAS RN: 70563-58-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    229-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9+,16-10-,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1

InChIKey

InChIKey=MCAHMSDENAOJFZ-TWYXGFFKSA-N

SMILES

O(C)[C@H]1C=2C(=O)C(=CC(=O)C2)NC(=O)\C(\C)=C/C=C/[C@H](OC)[C@@H](OC(N)=O)\C(\C)=C\[C@H](C)[C@@H](OC)[C@@H](OC)C[C@@H]1C

Canonical SMILES

O=C(OC1C(=CC(C)C(OC)C(OC)CC(C)C(OC)C2=CC(=O)C=C(NC(=O)C(=CC=CC1OC)C)C2=O)C)N

Other Names for this Substance

  • Geldanamycin, 17-demethoxy-15-methoxy-11-O-methyl-, (15R)-
  • 2-Azabicyclo[16.3.1]docosane, geldanamycin deriv.
  • (15R)-17-Demethoxy-15-methoxy-11-O-methylgeldanamycin
  • Herbimycin A
  • Antibiotic TAN 420F

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Deleted or Replaced CAS Registry Numbers

1258005-88-7

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