Cas no 22570-55-4 ((3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one)

(3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one structure
22570-55-4 structure
Product Name:(3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one
CAS No:22570-55-4
MF:C30H48O
MW:424.701529502869
CID:277753
Update Time:2023-08-02

(3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one Chemical and Physical Properties

Names and Identifiers

    • A'-Neogammacer-22(29)-en-6-one,(21b)- (9CI)
    • (21β)-A'-Neo-5α-gammacer-22(29)-en-6-one
    • 7H-Cyclopenta[a]chrysene, A'-neogammacer-22(29)-en-6-one deriv.
    • A'-Neo-21aH-gammacer-22(2a)-en-6-one (8CI)
    • Zeorininone b
    • (3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,
    • (3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one
    • Inchi: 1S/C30H48O/c1-19(2)20-12-16-27(5)21(20)13-17-29(7)23(27)10-11-24-28(6)15-9-14-26(3,4)25(28)22(31)18-30(24,29)8/h20-21,23-25H,1,9-18H2,2-8H3/t20-,21-,23+,24+,25-,27-,28+,29+,30+/m0/s1
    • InChI Key: INJOTIHGNHKCHO-SXEBQTSHSA-N
    • SMILES: O=C1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@@H](C(=C)C)[C@@H]4CC[C@@]23C)[C@@]2(C)CCCC(C)(C)[C@@H]21

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 1
  • Complexity: 807
  • Topological Polar Surface Area: 17.1
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