Cinerubin B
CAS Registry Number®
35906-51-5
No image available.
CAS Name
Cinerubin BMolecular Formula
C42H51NO16Molecular Mass
825.85Cite this Page
Cinerubin B. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=35906-51-5 (retrieved ) (CAS RN: 35906-51-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3/t16-,17-,18-,21-,25-,26-,27-,28-,29-,34-,38+,39+,41-,42+/m0/s1
InChIKey
InChIKey=ZBDDFHXUDIPRSM-DQCCILMQSA-N
SMILES
O([C@@H]1C2=C([C@@H](C(OC)=O)[C@](CC)(O)C1)C=C3C(=C2O)C(=O)C=4C(C3=O)=C(O)C=CC4O)[C@H]5C[C@H](N(C)C)[C@H](O[C@H]6C[C@]7([C@@]([C@H](C)O6)(O[C@]8([C@@](O7)(CC(=O)[C@H](C)O8)[H])[H])[H])[H])[C@H](C)O5
Canonical SMILES
O=C1C=2C=C3C(=C(O)C2C(=O)C=4C(O)=CC=C(O)C14)C(OC5OC(C)C(OC6OC(C)C7OC8OC(C(=O)CC8OC7C6)C)C(N(C)C)C5)CC(O)(CC)C3C(=O)OC
Other Names for this Substance
- 1-Naphthacenecarboxylic acid, 4-[[[2′′′,3′′-anhydro]-O-3,6-dideoxy-α-L-erythro-hexopyranos-4-ulos-1-yl-(1→4)-O-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
- 1-Naphthacenecarboxylic acid, 4-[[[2′′′,3′′-anhydro]-O-3,6-dideoxy-α-L-erythro-hexopyranos-4-ulos-1-yl-(1→4)-O-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]-
- 2H,7H-Dipyrano[2,3-b:4′,3′-e][1,4]dioxin, 1-naphthacenecarboxylic acid deriv.
- Cinerubine B
- Cinerubin B
