Chem
J-GLOBAL ID：200907040805396395   Nikkaji number：J93.185C

Gangetin

ガンゲチン
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： C26H28O5
Molecular formula furigana： C26-H28-O5
Molecular weight： 420.505
InChI： InChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)9-8-15-18-13-29-21-12-20-17(10-11-26(3,4)31-20)24(28-5)22(21)25(18)30-23(15)16/h6,8-12,18,25,27H,7,13H2,1-5H3/t18-,25+/m0/s1
InChI key： FUNJPZFUOULIEZ-AVRWGWEMSA-N
SMILES： COc1c2C=CC(C)(C)Oc2cc2OC[C@@H]3[C@@H](Oc4c3ccc(O)c4CC=C(C)C)c12
Systematic name  (3)：
  • (7aR)-7aα,12aα-ジヒドロ-13-メトキシ-3,3-ジメチル-11-(3-メチル-2-ブテニル)-3H,7H-ベンゾフロ[3,2-c]ピラノ[3,2-g][1]ベンゾピラン-10-オール
  • (2R,10R)-21-メトキシ-17,17-ジメチル-5-(3-メチルブタ-2-エン-1-イル)-3,12,16-トリオキサペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-1(13),4(9),5,7,14,18,20-ヘプタエン-6-オール
  • (2R,10R)-21-methoxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol
Other name (3)：
  • Gangetin
  • ガンゲチン
  • (7aR)-7aα,12aα-Dihydro-13-methoxy-3,3-dimethyl-11-(3-methyl-2-butenyl)-3H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-10-ol
CAS registry number： 32986-79-1
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