6,15-Methano-1H-pyrano[4′′,3′′:6′,7′]naphtho[2′,3′:5,6]cyclohepta[1,2-g]-2-benzopyran-3,10-diacetic acid, 6-(acetyloxy)-3,4,6,8,9,10,12,13,15,16-decahydro-7,14,17-trihydroxy-1,12-dimethyl-8,13,16-trioxo-, α3-methyl ester, (1S,3R,6S,10R,12S,15R)-

CAS Registry Number®

55050-83-4
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CAS Name

6,15-Methano-1H-pyrano[4′′,3′′:6′,7′]naphtho[2′,3′:5,6]cyclohepta[1,2-g]-2-benzopyran-3,10-diacetic acid, 6-(acetyloxy)-3,4,6,8,9,10,12,13,15,16-decahydro-7,14,17-trihydroxy-1,12-dimethyl-8,13,16-trioxo-, α3-methyl ester, (1S,3R,6S,10R,12S,15R)-

Molecular Formula

C35H32O14

Molecular Mass

676.62

Cite this Page

6,15-Methano-1H-pyrano[4′′,3′′:6′,7′]naphtho[2′,3′:5,6]cyclohepta[1,2-g]-2-benzopyran-3,10-diacetic acid, 6-(acetyloxy)-3,4,6,8,9,10,12,13,15,16-decahydro-7,14,17-trihydroxy-1,12-dimethyl-8,13,16-trioxo-, α3-methyl ester, (1S,3R,6S,10R,12S,15R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55050-83-4 (retrieved 2024-09-10) (CAS RN: 55050-83-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H32O14/c1-11-22-14(5-15(47-11)9-21(39)46-4)6-19-25(31(22)42)30(41)18-10-35(19,49-13(3)36)28-24(18)33(44)27-26(34(28)45)29(40)17-7-16(8-20(37)38)48-12(2)23(17)32(27)43/h6,11-12,15-16,18,42,44-45H,5,7-10H2,1-4H3,(H,37,38)/t11-,12-,15+,16+,18+,35-/m0/s1

InChIKey

InChIKey=ULOHVDHKDYSPRZ-KMXRVXEMSA-N

SMILES

O(C(C)=O)[C@@]12C=3C([C@@](C1)(C(=O)C=4C2=CC5=C(C4O)[C@H](C)O[C@@H](CC(OC)=O)C5)[H])=C(O)C6=C(C3O)C(=O)C7=C(C6=O)[C@H](C)O[C@@H](CC(O)=O)C7

Canonical SMILES

O=C(O)CC1OC(C=2C(=O)C=3C(O)=C4C(=C(O)C3C(=O)C2C1)C5(OC(=O)C)C6=CC7=C(C(O)=C6C(=O)C4C5)C(OC(CC(=O)OC)C7)C)C

Other Names for this Substance

  • 6,15-Methano-1H-pyrano[4′′,3′′:6′,7′]naphtho[2′,3′:5,6]cyclohepta[1,2-g]-2-benzopyran-3,10-diacetic acid, 6-(acetyloxy)-3,4,6,8,9,10,12,13,15,16-decahydro-7,14,17-trihydroxy-1,12-dimethyl-8,13,16-trioxo-, α3-methyl ester, (1S,3R,6S,10R,12S,15R)-
  • 6,15-Methano-1H-pyrano[4′′,3′′:6′,7′]naphtho[2′,3′:5,6]cyclohepta[1,2-g]-2-benzopyran-3,10-diacetic acid, 6-(acetyloxy)-3,4,6,8,9,10,12,13,15,16-decahydro-7,14,17-trihydroxy-1,12-dimethyl-8,13,16-trioxo-, α3-methyl ester, [1S-(1α,3β,6α,10α,12β,15β)]-
  • β-Naphthocyclinone