(3R,5bS,7aS,13bS,13cR,15aS)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-Dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-4H-3,15a-epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one
CAS Registry Number®
63722-91-8
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CAS Name
(3R,5bS,7aS,13bS,13cR,15aS)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-Dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-4H-3,15a-epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-oneMolecular Formula
C27H31NO4Molecular Mass
433.54Cite this Page
(3R,5bS,7aS,13bS,13cR,15aS)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-Dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-4H-3,15a-epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=63722-91-8 (retrieved ) (CAS RN: 63722-91-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1
InChIKey
InChIKey=BPTIXFRJAOKMRK-SAMRHTEJSA-N
SMILES
C[C@@]12[C@]3(C)[C@](O)(C=4[C@@]5(CC3)O[C@@](C(=O)C4)(C(C)(C)O5)[H])CC[C@]1(CC6=C2NC=7C6=CC=CC7)[H]
Canonical SMILES
O=C1C=C2C3(OC1C(O3)(C)C)CCC4(C)C2(O)CCC5CC=6C=7C=CC=CC7NC6C54C
Other Names for this Substance
- 4H-3,15a-Epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one, 2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-, (3R,5bS,7aS,13bS,13cR,15aS)-
- 4H-3,15a-Epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one, 2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-, [3R-(3α,5bα,7aβ,13bα,13cβ,15aα)]-
- (3R,5bS,7aS,13bS,13cR,15aS)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-Dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-4H-3,15a-epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one
- Paspalinine
- Paspalinin
