Cas no 55700-58-8 (2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)-)

2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)- structure
55700-58-8 structure
Product Name:2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)-
CAS No:55700-58-8
MF:C27H44O3
MW:416.636468887329
CID:374884
PubChem ID:329753335
Update Time:2025-04-19

2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)- Chemical and Physical Properties

Names and Identifiers

    • (24S)-24,25-Dihydroxycholecalciferol
    • (3R,5Z,7E,24S)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol
    • 2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-met
    • 2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)-
    • (24R)-Pseudoginsenoside F11
    • (24S)-24,25-dihydroxyvitamin D3
    • (3b,6a,12b,24R)-20,24-Epoxy-3,12,25-
    • 24(R)-pseudoginsenoside F11
    • 24(S),25-dihydroxycholecalciferol
    • 24(S)-pseudo-ginsenoside-F11
    • 24S,25-dihydroxycholecalciferol
    • PSEUDOEPHED
    • PSEUDOGINSENOSIDE
    • pseudoginsenoside F11
    • pseudo-ginsenoside F11
    • Pseudoginsenoside FII
    • pseudoginsenoside-F11
    • pseudo-ginsenoside-Fll
    • Pseuginsenoside F11
    • Pseuginsensoside F11
    • (3beta,5Z,7E,24S)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol
    • (3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol
    • Secalciferol, (24S)-
    • AKOS030526847
    • (5Z,7E)-(3S,24S)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol
    • (24S)-Secalciferol
    • 24(S),25-Dihydroxyvitamin D3
    • HY-15439
    • MS-27263
    • MFCD11114064
    • PRI-1202
    • CS-0931
    • EVQ6RX7DAN
    • 55700-58-8
    • (24S)-24,25-dihydroxyvitamin D3 / (24S)-24,25-dihydroxycholecalciferol
    • LMST03020274
    • (24S)-24,25-Dihydroxyvitamin D3, >=95.0% (HPLC)
    • 24S,25-Dihydroxyvitamin D3
    • 2,3-HEPTANEDIOL, 2-METHYL-6-((1R,3AS,4E,7AR)-OCTAHYDRO-4-((2Z)-2-((5S)-5-HYDROXY-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)-7A-METHYL-1H-INDEN-1-YL)-, (3S,6R)-
    • (3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
    • DA-48637
    • MDL： MFCD11114064
    • Inchi： 1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25+,27-/m1/s1
    • InChI Key： FCKJYANJHNLEEP-WQUHCOROSA-N
    • SMILES： O[C@H](C(C)(C)O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C(=C)CC[C@@H](C\3)O)/CCC[C@]12C

Computed Properties

  • Exact Mass: 416.329045
  • Monoisotopic Mass: 416.329045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 688
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.7
  • XLogP3: 5

Experimental Properties

  • Density: 1.06±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 571.1°Cat760mmHg
  • Flash Point: 241.5°C
  • Refractive Index: 1.547
  • Solubility: Insuluble (8.3E-4 g/L) (25 oC),
  • PSA: 60.69000
  • LogP: 5.70470

2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)- Security Information

  • Symbol: GHS06
  • Signal Word：Danger
  • Hazard Statement： H300
  • Warning Statement： P264-P301+P310
  • Hazardous Material transportation number：UN 2811 6.1 / PGII
  • WGK Germany：3
  • Hazard Category Code： 28
  • Safety Instruction： 28-36/37-45
  • Hazardous Material Identification： T+
  • HazardClass：6.1
  • PackingGroup：Ⅱ
  • Storage Condition：4°C, stored under argon

2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)- Pricemore >>

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2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)- Related Literature

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55700-58-8 (2,3-Heptanediol,2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(3S,6R)-) Related Products

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