Chem
J-GLOBAL ID：200907037875666518   Nikkaji number：J864.609K

Ulmoidol

ウルモイドール
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： C29H42O5
Molecular formula furigana： C29-H42-O5
Molecular weight： 470.650
InChI： InChI=1S/C29H42O5/c1-14-7-10-28-12-11-27(6)26(5)9-8-17-16(3)19(31)18(30)13-25(17,4)22(26)20-23(33-20)29(27,34-24(28)32)21(28)15(14)2/h14-15,17-23,30-31H,3,7-13H2,1-2,4-6H3/t14-,15+,17+,18-,19-,20+,21-,22-,23+,25+,26-,27+,28+,29-/m1/s1
InChI key： CGDNMHCUSPXQHB-ASWZSIAWSA-N
SMILES： C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(=C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
Systematic name  (3)：
  • 2α,3β,13-トリヒドロキシ-11α,12α-エポキシ-24-ノルウルサ-4(23)-エン-28-酸28,13-ラクトン
  • (1S,2S,4S,5R,6S,8R,9R,11R,14R,15S,18S,21R,22S,23R)-8,9-ジヒドロキシ-6,14,15,21,22-ペンタメチル-10-メチリデン-3,24-ジオキサヘプタシクロ[16.5.2.01,15.02,4.05,14.06,11.018,23]ペンタコサン-25-オン
  • (1S,2S,4S,5R,6S,8R,9R,11R,14R,15S,18S,21R,22S,23R)-8,9-dihydroxy-6,14,15,21,22-pentamethyl-10-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
Other name (3)：
  • ウルモイドール
  • Ulmoidol
  • 2α,3β,13-Trihydroxy-11α,12α-epoxy-24-norurs-4(23)-en-28-oic acid 28,13-lactone
Thsaurus map：
Thesaurus Map

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