Cas no 264875-61-8 ((2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e])

(2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e] structure
264875-61-8 structure
Product Name:(2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e]
CAS No:264875-61-8
MF:C37H56O11
MW:676.833952903748
CID:1427472
PubChem ID:21606551
Update Time:2024-11-05

(2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e] Chemical and Physical Properties

Names and Identifiers

    • (2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e]
    • (2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e]pyran-7-yl acetate
    • beta-D-xylopyranoside, (2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-7-(acetyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydro-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]furo[2,3-e]pyran-2-yl
    • (2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e]pyran-7-yl acetate; beta-D-xylopyranoside, (2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-7-(acetyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydro-11,11a-d
    • Cimiracemoside F
    • β-D-Xylopyranoside, (3β,12β,16β,22R,23R,24R)-12-(acetyloxy)-16,23:22,25-diepoxy-23,24-dihydroxy-9,19-cyclolanost-7-en-3-yl
    • CHEBI:70245
    • 264875-61-8
    • Cimiracemoside A (constituent of Black cohosh) [DSC]
    • 7N2E1K5A7H
    • Cimiracemoside A (constituent of Black cohosh)
    • [(1S,5R,7S,10R,12S,14R,15R,16R,17S,18R,21R,22R,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacos-2-en-14-yl] acetate
    • CIMIRACEMOSIDE A
    • beta-D-Xylopyranoside, (3beta,12beta,16beta,22R,23R,24R)-12-(acetyloxy)-16,23:22,25-diepoxy-23,24-dihydroxy-9,19-cyclolanost-7-en-3-yl
    • UNII-7N2E1K5A7H
    • SCHEMBL5955040
    • .BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,22R,23R,24R)-12-(ACETYLOXY)-16,23:22,25-DIEPOXY-23,24-DIHYDROXY-9,19-CYCLOLANOST-7-EN-3-YL
    • Cimiracemoside-A
    • Q27138584
    • (-)-Cimiracemoside G
    • Cimiracemoside G
    • AT41924
    • Inchi： 1S/C37H56O11/c1-17-25-20(47-37(43)28(17)48-32(5,6)30(37)42)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+,33-,34+,35+,36-,37-/m0/s1
    • InChI Key： IHMRHYCBRKQAFU-CCPRSJHGSA-N
    • SMILES： C[C@@]12C[C@]3([H])O[C@@]4([C@H](O)C(C)(C)O[C@]4([H])[C@@H](C)[C@]3([H])[C@]1([C@H](OC(=O)C)C[C@@]13C[C@]41CC[C@H](O[C@]1([H])OC[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)[C@]4([H])CC=C23)C)O

Computed Properties

  • Exact Mass: 676.38226260g/mol
  • Monoisotopic Mass: 676.38226260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 4
  • Complexity: 1410
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 164?2

(2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e] Related Literature

Related Categories

264875-61-8 ((2S,4aR,5aS,7R,7aR,7bR,8S,8aR,11R,11aR,12aS,13aS,15aR)-11,11a-dihydroxy-1,1,7a,8,10,10,13a-heptamethyl-2-(beta-D-xylopyranosyloxy)-1,2,3,4,6,7,7a,7b,8,8a,10,11,11a,12a,13,13a,15,15a-octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]furo[2,3-e]) Related Products

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