Cas no 131204-29-0 (2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-)

2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]- structure
131204-29-0 structure
Product Name:2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-
CAS No:131204-29-0
MF:C43H66O11
MW:758.977554798126
CID:176109
PubChem ID:6442750
Update Time:2025-04-19

2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-
    • 1-Norokadaone
    • 1-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]propan-2-one
    • 1-NOROKADAONE 98+%
    • Norokadanone
    • 1-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4As,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]propan-2-one
    • 131204-29-0
    • 1-((2S,6R,8S,11R)-11-hydroxy-2-((E,2R)-4-((2S,2'S,4R,6R)-4-hydroxy-2-((1S,3S)-1-hydroxy-3-((3R,6S)-3-methyl-1,7-dioxaspiro(5.5)undecan-2-yl)butyl)-3-methylidenespiro(4a,7,8,8a-tetrahydro-4H-pyrano(3,2-b)pyran-6,5'-oxolane)-2'-yl)but-3-en-2-yl)-4-methyl-1,7-dioxaspiro(5.5)undec-4-en-8-yl)propan-2-one
    • 1-((2S,6R,8S,11R)-2-((E,2R)-4-((2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro(5.5)undecan-2-yl)butyl)-3-methylidenespiro(4a,7,8,8a-tetrahydro-4H-pyrano(3,2-b)pyran-6,5'-oxolane)-2'-yl)but-3-en-2-yl)-11-hydroxy-4-methyl-1,7-dioxaspiro(5.5)undec-4-en-8-yl)propan-2-one
    • 1-[(2S,6R,8S,11R)-11-hydroxy-2-[(E,2R)-4-[(2S,2'S,4R,6R)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]propan-2-one
    • Inchi： 1S/C43H66O11/c1-25-21-35(52-43(24-25)36(46)12-11-32(51-43)23-29(5)44)26(2)9-10-31-14-18-42(50-31)19-15-34-40(54-42)37(47)30(6)39(49-34)33(45)22-28(4)38-27(3)13-17-41(53-38)16-7-8-20-48-41/h9-10,24,26-28,31-40,45-47H,6-8,11-23H2,1-5H3/b10-9+/t26-,27-,28+,31+,32+,33+,34-,35+,36+,37-,38+,39+,40-,41+,42-,43-/m1/s1
    • InChI Key： NJOGICJCSWVJKS-CSGLEQNXSA-N
    • SMILES： O1[C@H]2[C@@H](C(=C)[C@@H]([C@H](C[C@H](C)[C@@H]3[C@H](C)CC[C@]4(CCCCO4)O3)O)O[C@@H]2CC[C@]21CC[C@H](/C=C/[C@@H](C)[C@@H]1CC(C)=C[C@]3([C@H](CC[C@@H](CC(C)=O)O3)O)O1)O2)O

Computed Properties

  • Exact Mass: 758.46100
  • Monoisotopic Mass: 758.46051292g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 9
  • Complexity: 1420
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 142?2

Experimental Properties

  • PSA: 142.37000
  • LogP: 5.96700

2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]- Security Information

  • WGK Germany：3
  • Hazard Category Code： 20/21/22-38
  • Safety Instruction： 26-36
  • Hazardous Material Identification： Xn

2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]- Pricemore >>

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2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]- Related Literature

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131204-29-0 (2-Propanone,1-[(2S,5R,6R,8S)-5-hydroxy-10-methyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-) Related Products

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