Cas no 104900-67-6 (Methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate)

Methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate structure
104900-67-6 structure
Product Name:Methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate
CAS No:104900-67-6
MF:C23H32O5
MW:388.497187614441
CID:195753
PubChem ID:21681043
Update Time:2024-02-29

Methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,5-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2,3,4-trihydroxy-,methyl ester
    • 5-[[(1R,8aα)-Decahydro-1β,2β,4aβ-trimethyl-5-methylenenaphthalen-1α-yl]methyl]-2,3,4-trihydroxybenzoic acid methyl ester
    • Benzoic acid,5-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]...
    • Benzoicacid, 5-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-2,3,4-trihydroxy-,methyl ester, [1R-(1a,2b,4ab,8aa)]-
    • Dictyoceratin B
    • Methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]
    • 104900-67-6
    • methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate
    • Methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate
    • Inchi： 1S/C23H32O5/c1-13-7-6-8-17-22(13,3)10-9-14(2)23(17,4)12-15-11-16(21(27)28-5)19(25)20(26)18(15)24/h11,14,17,24-26H,1,6-10,12H2,2-5H3/t14-,17+,22+,23+/m0/s1
    • InChI Key： MFMAXXNRMUAGPE-VITDHJIUSA-N
    • SMILES： OC1C(=C(C(C(=O)OC)=CC=1C[C@]1(C)[C@@H](C)CC[C@]2(C)C(=C)CCC[C@@H]12)O)O

Computed Properties

  • Exact Mass: 388.225
  • Monoisotopic Mass: 388.225
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 618
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 87
  • XLogP3: 6.3

Methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate Related Literature

Related Categories

104900-67-6 (Methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate) Related Products

Recommended suppliers
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk