Chem
J-GLOBAL ID:200907042455980555
Nikkaji number:J779.806G
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2α-(4-methoxyphenyl)-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α,12α-ジヒドロキシ-2α-(4-メトキシフェニル)-4aα,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-1,3,7,10-テトラオキサベンゾ[b]クリセン-11-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:
C33 H37 NO8
Molecular formula furigana:
C33-H37-N-O8
Molecular weight:
575.658
InChI:
InChI=1S/C33H37NO8/c1-31-12-11-25-32(2,17-39-30(41-25)18-7-9-20(38-4)10-8-18)23(31)15-24(35)33(3)28(31)27(36)26-22(42-33)14-21(40-29(26)37)19-6-5-13-34-16-19/h5-10,13-14,16,23-25,27-28,30,35-36H,11-12,15,17H2,1-4H3/t23-,24+,25+,27+,28-,30-,31+,32+,33-/m1/s1
InChI key:
PWLDFGYNVLKOHJ-BWRUMXBRSA-N
SMILES:
COc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](O)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)c2cccnc2)O1
Systematic name (3):
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α,12α-ジヒドロキシ-2α-(4-メトキシフェニル)-4aα,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-1,3,7,10-テトラオキサベンゾ[b]クリセン-11-オン
(1S,2S,3R,11S,12S,14R,15R,18R,20S)-3,12-ジヒドロキシ-18-(4-メトキシフェニル)-1,11,15-トリメチル-7-(ピリジン-3-イル)-6,10,17,19-テトラオキサペンタシクロ[12.8.0.02,11 .04,9 .015,20 ]ドコサ-4(9),7-ジエン-5-オン
(1S,2S,3R,11S,12S,14R,15R,18R,20S)-3,12-dihydroxy-18-(4-methoxyphenyl)-1,11,15-trimethyl-7-(pyridin-3-yl)-6,10,17,19-tetraoxapentacyclo[12.8.0.02,11 .04,9 .015,20 ]docosa-4(9),7-dien-5-one
Other name (1):
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2α-(4-methoxyphenyl)-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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