rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one

CAS Registry Number®

173429-81-7
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CAS Name

rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one

Molecular Formula

C40H38N2O11

Molecular Mass

722.74

Cite this Page

rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=173429-81-7 (retrieved 2024-09-20) (CAS RN: 173429-81-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C40H38N2O11/c1-39(2)14-13-18-28-27(33(47)17-10-12-19(43)36(50-7)29(17)41(28)5)34(48)26(35(18)53-39)25-24-22(52-38(25)40(3,4)49)15-21(45)23-31(24)42(6)30-16(32(23)46)9-11-20(44)37(30)51-8/h9-15,25,38,43-45,48-49H,1-8H3/t25-,38+/s2

InChIKey

InChIKey=YDFOOKXFYDNPMQ-QXZOYMRQNA-N

SMILES

C(C)(C)(O)[C@@H]1[C@H](C=2C3=C(C(=O)C=4C(N3C)=C(OC)C(O)=CC4)C(O)=CC2O1)C=5C6=C(C7=C(C5O)C(=O)C=8C(N7C)=C(OC)C(O)=CC8)C=CC(C)(C)O6

Canonical SMILES

O=C1C2=CC=C(O)C(OC)=C2N(C=3C1=C(O)C=C4OC(C(C=5C(O)=C6C(=O)C7=CC=C(O)C(OC)=C7N(C6=C8C=CC(OC85)(C)C)C)C43)C(O)(C)C)C

Other Names for this Substance

  • 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-, rel-
  • 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-, trans-
  • rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one
  • Citbismine D
  • (±)-Citbismine D