(-)-Balanol

CAS Registry Number®

63590-19-2
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CAS Name

(-)-Balanol

Molecular Formula

C28H26N2O10

Molecular Mass

550.51

Cite this Page

(-)-Balanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=63590-19-2 (retrieved 2024-04-20) (CAS RN: 63590-19-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1

InChIKey

InChIKey=XYUFCXJZFZPEJD-XMSQKQJNSA-N

SMILES

C(=O)(C1=C(C(O)=O)C=CC=C1O)C2=C(O)C=C(C(O[C@H]3[C@H](NC(=O)C4=CC=C(O)C=C4)CNCCC3)=O)C=C2O

Canonical SMILES

O=C(O)C=1C=CC=C(O)C1C(=O)C2=C(O)C=C(C=C2O)C(=O)OC3CCCNCC3NC(=O)C4=CC=C(O)C=C4

Other Names for this Substance

  • Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, (3R,4R)-hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepin-4-yl ester
  • Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, 1-[hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepin-4-yl] ester, (3R-trans)-
  • Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, 1-[(3R,4R)-hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepin-4-yl] ester
  • Ophiocordin
  • Azepinostatin

View All

Deleted or Replaced CAS Registry Numbers

147397-03-3

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