Actinorhodin

CAS Registry Number®

1397-77-9

CAS Name

Actinorhodin

Molecular Formula

C32H26O14

Molecular Mass

634.54

Cite this Page

Actinorhodin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1397-77-9 (retrieved 2024-11-24) (CAS RN: 1397-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1

InChIKey

InChIKey=VTIKDEXOEJDMJP-WYUUTHIRSA-N

SMILES

O=C1C=2C(C(=O)C3=C1[C@@H](C)O[C@H](CC(O)=O)C3)=C(O)C=C(C2O)C=4C(O)=C5C(=C(O)C4)C(=O)C6=C(C5=O)[C@@H](C)O[C@H](CC(O)=O)C6

Canonical SMILES

O=C(O)CC1OC(C=2C(=O)C3=C(O)C(=CC(O)=C3C(=O)C2C1)C=4C=C(O)C=5C(=O)C6=C(C(=O)C5C4O)C(OC(CC(=O)O)C6)C)C

Other Names for this Substance

  • [8,8′-Bi-1H-naphtho[2,3-c]pyran]-3,3′-diacetic acid, 3,3′,4,4′,5,5′,10,10′-octahydro-6,6′,9,9′-tetrahydroxy-1,1′-dimethyl-5,5′,10,10′-tetraoxo-, (1R,1′R,3S,3′S)-
  • Actinorhodin
  • [8,8′-Bi-1H-naphtho[2,3-c]pyran]-3,3′-diacetic acid, 3,3′,4,4′,5,5′,10,10′-octahydro-6,6′,9,9′-tetrahydroxy-1,1′-dimethyl-5,5′,10,10′-tetraoxo-, [1R-[1α,3β,8(1′R*,3′S*)]]-
  • 1H-Naphtho[2,3-c]pyran, bimol. deriv.
  • (1R,1′R,3S,3′S)-3,3′,4,4′,5,5′,10,10′-Octahydro-6,6′,9,9′-tetrahydroxy-1,1′-dimethyl-5,5′,10,10′-tetraoxo[8,8′-bi-1H-naphtho[2,3-c]pyran]-3,3′-diacetic acid

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Deleted or Replaced CAS Registry Numbers

15428-92-9

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