Chem
J-GLOBAL ID:200907008644721281
Nikkaji number:J8.961C
AC-2770
ギトホルマート
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C46 H64 O19
Molecular formula furigana:
C46-H64-O19
Molecular weight:
920.999
InChI:
InChI=1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3/t24-,25-,26-,28-,29+,30+,31-,32+,33+,34+,35+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46+/m1/s1
InChI key:
DOMHWKQEPDYUQX-LJAQBGIBSA-N
SMILES:
C[C@H]1O[C@H](C[C@H](OC=O)[C@@H]1OC=O)O[C@@H]1[C@@H](C)O[C@H](C[C@@H]1OC=O)O[C@@H]1[C@@H](C)O[C@H](C[C@@H]1OC=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C[C@]32O)OC=O)C2=CC(=O)OC2)C1
Systematic name (4):
3β-[[4-O-[4-O-(3-O,4-O-ジホルミル-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル)-3-O-ホルミル-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]-3-O-ホルミル-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]オキシ]-16β-ホルミルオキシ-14-ヒドロキシ-5β-カルダ-20(22)-エノリド
3β-[[4-O-[4-O-(2,6-ジデオキシ-3-O,4-O-ジホルミル-β-D-ribo-ヘキソピラノシル)-2,6-ジデオキシ-3-O-ホルミル-β-D-ribo-ヘキソピラノシル]-2,6-ジデオキシ-3-O-ホルミル-β-D-ribo-ヘキソピラノシル]オキシ]-16β-ホルミルオキシ-14-ヒドロキシ-5β,14β-カルダ-20(22)-エノリド
(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4S,5R,6R)-4,5-ビス(ホルミルオキシ)-6-メチルオキサン-2-イル]オキシ}-4-(ホルミルオキシ)-6-メチルオキサン-2-イル]オキシ}-4-(ホルミルオキシ)-6-メチルオキサン-2-イル]オキシ}-3a-ヒドロキシ-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-2-イル ホルマート
(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4S,5R,6R)-4,5-bis(formyloxy)-6-methyloxan-2-yl]oxy}-4-(formyloxy)-6-methyloxan-2-yl]oxy}-4-(formyloxy)-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl formate
Other name (12):
ギトホルマート
ギトキシン3′,3′′,3′′′,4′′′,16-ペンタホルマート
Gitoformate
Gitoxin 3′,3′′,3′′′,4′′′,16-pentaformate
ペンタホルミルギトキシン
ホルミロキシン
Pentaformylgitoxin
Formiloxine
Formiloxin
AC-2770
3β-[[4-O-[4-O-(2,6-Dideoxy-3-O,4-O-diformyl-β-D-ribo-hexopyranosyl)-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl]-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl]oxy]-16β-formyloxy-14-hydroxy-5β,14β-card-20(22)-enolide
3β-[[4-O-[4-O-(3-O,4-O-Diformyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)-3-O-formyl-2,6-dideoxy-β-D-ribo-hexopyranosyl]-3-O-formyl-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-16β-formyloxy-14-hydroxy-5β-card-20(22)-enolide
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CAS registry number:
7685-23-6
Regulation number (2):
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