Chem
J-GLOBAL ID:200907026006422984
Nikkaji number:J1.843.536E
Rg3
3-(2-O-β-D-グルコピラノシル-β-D-グルコピラノシルオキシ)-12,20-ジヒドロキシダンマラ-24-エン
Download MOL file
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:
C42 H72 O13
Molecular formula furigana:
C42-H72-O13
Molecular weight:
785.025
InChI:
InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23?,24+,25+,26-,27+,28?,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
InChI key:
RWXIFXNRCLMQCD-FGEQPJDNSA-N
SMILES:
CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C(O)C[C@@H]1[C@@]3(C)CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C)C
Systematic name (3):
3-(2-O-β-D-グルコピラノシル-β-D-グルコピラノシルオキシ)-12,20-ジヒドロキシダンマラ-24-エン
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,9aR,9bR,11aR)-11-ヒドロキシ-1-[(2S)-2-ヒドロキシ-6-メチルヘプタ-5-エン-2-イル]-3a,3b,6,6,9a-ペンタメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,9aR,9bR,11aR)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2):
3-(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-12,20-dihydroxydammara-24-ene
Rg3
Thsaurus map:
Return to Previous Page