Chem
J-GLOBAL ID:201007064299886114
Nikkaji number:J2.889.240C
(7aR)-3-(Hydroxymethyl)-3-methyl-7aα-hydroxy-9,10-dimethoxy-7,7a,13,13aα-tetrahydro-3H-bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7-one
(7aR)-3-(ヒドロキシメチル)-3-メチル-7aα-ヒドロキシ-9,10-ジメトキシ-7,7a,13,13aα-テトラヒドロ-3H-ビス[1]ベンゾピラノ[3,4-b:6′,5′-e]ピラン-7-オン
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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:
C23 H22 O8
Molecular formula furigana:
C23-H22-O8
Molecular weight:
426.421
InChI:
InChI=1S/C23H22O8/c1-22(11-24)7-6-12-15(31-22)5-4-13-20(12)30-19-10-29-16-9-18(28-3)17(27-2)8-14(16)23(19,26)21(13)25/h4-9,19,24,26H,10-11H2,1-3H3/t19-,22?,23-/m1/s1
InChI key:
QBJZTSJAVVTREE-QQHBYLCDSA-N
SMILES:
COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(CO)C=Cc45)C(=O)[C@@]3(O)c2cc1OC
Systematic name (3):
(7aR)-3-(ヒドロキシメチル)-3-メチル-7aα-ヒドロキシ-9,10-ジメトキシ-7,7a,13,13aα-テトラヒドロ-3H-ビス[1]ベンゾピラノ[3,4-b:6′,5′-e]ピラン-7-オン
(1R,14R)-14-ヒドロキシ-7-(ヒドロキシメチル)-17,18-ジメトキシ-7-メチル-2,8,21-トリオキサペンタシクロ[12.8.0.03,12 .04,9 .015,20 ]ドコサ-3(12),4(9),5,10,15(20),16,18-ヘプタエン-13-オン
(1R,14R)-14-hydroxy-7-(hydroxymethyl)-17,18-dimethoxy-7-methyl-2,8,21-trioxapentacyclo[12.8.0.03,12 .04,9 .015,20 ]docosa-3(12),4(9),5,10,15(20),16,18-heptaen-13-one
Other name (1):
(7aR)-3-(Hydroxymethyl)-3-methyl-7aα-hydroxy-9,10-dimethoxy-7,7a,13,13aα-tetrahydro-3H-bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7-one
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