Granaticin B

CAS Registry Number®

19879-03-9
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CAS Name

Granaticin B

Molecular Formula

C28H30O12

Molecular Mass

558.53

Cite this Page

Granaticin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=19879-03-9 (retrieved 2024-05-03) (CAS RN: 19879-03-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H30O12/c1-8-11(29)4-5-16(37-8)39-14-6-12-18-22(28(14,35)10(3)38-12)26(34)20-19(24(18)32)25(33)21-17(23(20)31)9(2)36-13-7-15(30)40-27(13)21/h8-14,16,27,29,32,34-35H,4-7H2,1-3H3

InChIKey

InChIKey=HLNZYALGGXMQQC-UHFFFAOYSA-N

SMILES

OC12C=3C(C(CC1OC4OC(C)C(O)CC4)OC2C)=C(O)C5=C(C3O)C(=O)C6=C(C5=O)C7C(OC6C)CC(=O)O7

Canonical SMILES

O=C1C=2C(O)=C3C(=C(O)C2C(=O)C4=C1C(OC5CC(=O)OC45)C)C6OC(C)C3(O)C(OC7OC(C)C(O)CC7)C6

Other Names for this Substance

  • 8,11-Ethanofuro[2,3-e]naphtho[2,3-c:6,7-c′]dipyran-2,6,13(9H)-trione, 3,3a,5,8,11,13b-hexahydro-7,8,12-trihydroxy-5,9-dimethyl-15-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3aS,5S,8S,9R,11R,13bS,15R)-
  • Granaticin B
  • 8,11-Ethanofuro[2,3-e]naphtho[2,3-c:6,7-c′]dipyran-2,6,13(9H)-trione, 3,3a,5,8,11,13b-hexahydro-7,8,12-trihydroxy-5,9-dimethyl-15-[(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy]-, [3aS-[3aα,5α,8α,9α,11β,13bα,15S*(2R*,5R*,6R*)]]-
  • (3aS,5S,8S,9R,11R,13bS,15R)-3,3a,5,8,11,13b-Hexahydro-7,8,12-trihydroxy-5,9-dimethyl-15-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-8,11-ethanofuro[2,3-e]naphtho[2,3-c:6,7-c′]dipyran-2,6,13(9H)-trione
  • MM 44326

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