Chem
J-GLOBAL ID：200907084855683422   Nikkaji number：J2.463.877D

3-O-Methylmalonylepicotillol II

3-O-メチルマロニルエピコチロールII
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： C34H56O6
Molecular formula furigana： C34-H56-O6
Molecular weight： 560.816
InChI： InChI=1S/C34H56O6/c1-29(2)23-13-18-33(7)24(31(23,5)16-14-25(29)39-28(36)20-27(35)38-9)11-10-21-22(12-17-32(21,33)6)34(8)19-15-26(40-34)30(3,4)37/h21-26,37H,10-20H2,1-9H3/t21-,22+,23+,24-,25-,26-,31+,32-,33-,34+/m1/s1
InChI key： ZCEVRGUYZFNGJD-WUPCDRHTSA-N
SMILES： COC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CC[C@@H](O2)C(C)(C)O)C1(C)C
Systematic name  (3)：
  • (20S,24R)-20,24-エポキシ-3α-(3-メトキシ-1,3-ジオキソプロポキシ)-5α-ダンマラン-25-オール
  • (1S,3aR,3bR,5aR,7R,9aR,9bR,11aR)-1-[(2S,5R)-5-(2-ヒドロキシプロパン-2-イル)-2-メチルオキソラン-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 1-メチル プロパンジオアート
  • (1S,3aR,3bR,5aR,7R,9aR,9bR,11aR)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 1-methyl propanedioate
Other name (3)：
  • (20S,24R)-20,24-Epoxy-3α-(3-methoxy-1,3-dioxopropoxy)-5α-dammarane-25-ol
  • 3-O-メチルマロニルエピコチロールII
  • 3-O-Methylmalonylepicotillol II
Thsaurus map：
Thesaurus Map

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