Chem
J-GLOBAL ID:201107041315067606
Nikkaji number:J2.974.465C
(1S)-3-Isopropyl-4β-(4-O,6-O-isopropylidene-α-D-glucopyranosyloxy)-6α,10aα-dimethyl-9α-(methoxymethyl)-1β,2β-(epoxyethano)-1,2,4,5,6,6aβ,7,8,9,10a-decahydrodicyclopenta[a,d]cyclooctene-5α-ol
(1S)-3-イソプロピル-4β-(4-O,6-O-イソプロピリデン-α-D-グルコピラノシルオキシ)-6α,10aα-ジメチル-9α-(メトキシメチル)-1β,2β-(エポキシエタノ)-1,2,4,5,6,6aβ,7,8,9,10a-デカヒドロジシクロペンタ[a,d]シクロオクテン-5α-オール
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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:
C32 H50 O9
Molecular formula furigana:
C32-H50-O9
Molecular weight:
578.743
InChI:
InChI=1S/C32H50O9/c1-15(2)22-19-10-11-37-29(19)32(6)12-20-17(13-36-7)8-9-18(20)16(3)24(33)28(23(22)32)40-30-26(35)25(34)27-21(39-30)14-38-31(4,5)41-27/h12,15-19,21,24-30,33-35H,8-11,13-14H2,1-7H3/t16-,17-,18+,19+,21-,24-,25-,26-,27-,28-,29+,30-,32-/m1/s1
InChI key:
VVWLHUXTBJWIOB-JLTRQRTNSA-N
SMILES:
COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@@H]4COC(C)(C)O[C@H]4[C@H](O)[C@H]3O)C3=C(C(C)C)[C@@H]4CCO[C@@H]4[C@]3(C)C=C12
Systematic name (3):
(1S)-3-イソプロピル-4β-(4-O,6-O-イソプロピリデン-α-D-グルコピラノシルオキシ)-6α,10aα-ジメチル-9α-(メトキシメチル)-1β,2β-(エポキシエタノ)-1,2,4,5,6,6aβ,7,8,9,10a-デカヒドロジシクロペンタ[a,d]シクロオクテン-5α-オール
(4aR,6S,7R,8R,8aS)-6-{[(1R,4S,7S,8R,9R,10R,13S,17S)-9-ヒドロキシ-4-(メトキシメチル)-1,8-ジメチル-12-(プロパン-2-イル)-16-オキサテトラシクロ[9.6.0.03,7 .013,17 ]ヘプタデカ-2,11-ジエン-10-イル]オキシ}-2,2-ジメチル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-7,8-ジオール
(4aR,6S,7R,8R,8aS)-6-{[(1R,4S,7S,8R,9R,10R,13S,17S)-9-hydroxy-4-(methoxymethyl)-1,8-dimethyl-12-(propan-2-yl)-16-oxatetracyclo[9.6.0.03,7 .013,17 ]heptadeca-2,11-dien-10-yl]oxy}-2,2-dimethyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diol
Other name (1):
(1S)-3-Isopropyl-4β-(4-O,6-O-isopropylidene-α-D-glucopyranosyloxy)-6α,10aα-dimethyl-9α-(methoxymethyl)-1β,2β-(epoxyethano)-1,2,4,5,6,6aβ,7,8,9,10a-decahydrodicyclopenta[a,d]cyclooctene-5α-ol
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