Cas no 119020-36-9 ([6,6'-Biestr-4-ene]-3,3'-dione,17,17'-bis(acetyloxy)-7,7'-di-2-propenyl-, (6b,7a,17b)-(6'b,7'a,17'b)-)

[6,6'-Biestr-4-ene]-3,3'-dione,17,17'-bis(acetyloxy)-7,7'-di-2-propenyl-, (6b,7a,17b)-(6'b,7'a,17'b)- structure
119020-36-9 structure
Product Name:[6,6'-Biestr-4-ene]-3,3'-dione,17,17'-bis(acetyloxy)-7,7'-di-2-propenyl-, (6b,7a,17b)-(6'b,7'a,17'b)-
CAS No:119020-36-9
MF:C46H62O6
MW:710.980894565582
CID:168738
PubChem ID:195289
Update Time:2025-04-19

[6,6'-Biestr-4-ene]-3,3'-dione,17,17'-bis(acetyloxy)-7,7'-di-2-propenyl-, (6b,7a,17b)-(6'b,7'a,17'b)- Chemical and Physical Properties

Names and Identifiers

    • [6,6'-Biestr-4-ene]-3,3'-dione,17,17'-bis(acetyloxy)-7,7'-di-2-propenyl-, (6b,7a,17b)-(6'b,7'a,17'b)-
    • [6,6'-Biestr-4-ene]-3,3'-dione,17,17'-bis(acetyloxy)-7,7'-di-2-propenyl-, (6b,7a,17b)-(6'b,7'a...
    • 6,6'-bi(7-allyl-3-oxo-4-estren-17-yl acetate)
    • (6beta,7alpha,8xi,9xi,10xi,14xi,17beta)-6-[(6beta,7alpha,8xi,9xi,10xi,14xi,17beta)-17-(acetyloxy)-3-oxo-7-(prop-2-en-1-yl)estr-4-en-6-yl]-3-oxo-7-(prop-2-en-1-yl)estr-4-en-17-yl acetate
    • 6,6-Baoaa
    • 119020-36-9
    • [(6S,7S,13S,17S)-6-[(6S,7S,13S,17S)-17-acetyloxy-13-methyl-3-oxo-7-prop-2-enyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]-13-methyl-3-oxo-7-prop-2-enyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
    • Inchi： 1S/C46H62O6/c1-7-9-33-41-31(19-21-45(5)37(41)15-17-39(45)51-25(3)47)29-13-11-27(49)23-35(29)43(33)44-34(10-8-2)42-32(30-14-12-28(50)24-36(30)44)20-22-46(6)38(42)16-18-40(46)52-26(4)48/h7-8,23-24,29-34,37-44H,1-2,9-22H2,3-6H3/t29?,30?,31?,32?,33-,34-,37?,38?,39-,40-,41?,42?,43+,44+,45-,46-/m0/s1
    • InChI Key： HNBIJMUYMMGCRY-ZBJJYREYSA-N
    • SMILES： O(C(C)=O)[C@H]1CCC2[C@]1(C)CCC1C3CCC(C=C3[C@@H]([C@@H](CC=C)C21)[C@H]1C2=CC(CCC2C2CC[C@]3(C)[C@H](CCC3C2[C@@H]1CC=C)OC(C)=O)=O)=O

Computed Properties

  • Exact Mass: 710.45486
  • Monoisotopic Mass: 710.45464
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 9
  • Complexity: 1470
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 86.7
  • XLogP3: 7.7

Experimental Properties

  • Density: 1.16
  • Boiling Point: 769.5°C at 760 mmHg
  • Flash Point: 306.1°C
  • Refractive Index: 1.572
  • PSA: 86.74

[6,6'-Biestr-4-ene]-3,3'-dione,17,17'-bis(acetyloxy)-7,7'-di-2-propenyl-, (6b,7a,17b)-(6'b,7'a,17'b)- Related Literature

119020-36-9 ([6,6'-Biestr-4-ene]-3,3'-dione,17,17'-bis(acetyloxy)-7,7'-di-2-propenyl-, (6b,7a,17b)-(6'b,7'a,17'b)-) Related Products

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