(3S,3aR,7R,8R,9S,10aR,12aS,12bR)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,11,12,12b-dodecahydro-3-(7-isoquinolinyl)-3a-methyl-10a,12a-epoxybenzo[4,5]cyclohept[1,2-e]indene-7,8-diol

CAS Registry Number®

882976-95-6
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CAS Name

(3S,3aR,7R,8R,9S,10aR,12aS,12bR)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,11,12,12b-dodecahydro-3-(7-isoquinolinyl)-3a-methyl-10a,12a-epoxybenzo[4,5]cyclohept[1,2-e]indene-7,8-diol

Molecular Formula

C30H36N2O3

Molecular Mass

472.62

Cite this Page

(3S,3aR,7R,8R,9S,10aR,12aS,12bR)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,11,12,12b-dodecahydro-3-(7-isoquinolinyl)-3a-methyl-10a,12a-epoxybenzo[4,5]cyclohept[1,2-e]indene-7,8-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=882976-95-6 (retrieved 2024-04-26) (CAS RN: 882976-95-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1

InChIKey

InChIKey=KSGZCKSNTAJOJS-DZBMUNJRSA-N

SMILES

C[C@@]12[C@]([C@@]34C(C=C5[C@@](O3)(CC4)C[C@H](N(C)C)[C@@H](O)[C@@H]5O)=CC1)(CC[C@@H]2C6=CC7=C(C=C6)C=CN=C7)[H]

Canonical SMILES

OC1C2=CC3=CCC4(C)C(C=5C=CC=6C=CN=CC6C5)CCC4C73OC2(CC7)CC(N(C)C)C1O

Other Names for this Substance

  • 10a,12a-Epoxybenzo[4,5]cyclohept[1,2-e]indene-7,8-diol, 9-(dimethylamino)-1,2,3,3a,4,7,8,9,10,11,12,12b-dodecahydro-3-(7-isoquinolinyl)-3a-methyl-, (3S,3aR,7R,8R,9S,10aR,12aS,12bR)-
  • (3S,3aR,7R,8R,9S,10aR,12aS,12bR)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,11,12,12b-dodecahydro-3-(7-isoquinolinyl)-3a-methyl-10a,12a-epoxybenzo[4,5]cyclohept[1,2-e]indene-7,8-diol
  • Cortistatine A
  • Cortistatin A
  • (+)-Cortistatin A

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