9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one, 3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-, (3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)-

CAS Registry Number®

64999-57-1

CAS Name

9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one, 3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-, (3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)-

Molecular Formula

C22H31NO6

Molecular Mass

405.48

Cite this Page

9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one, 3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-, (3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64999-57-1 (retrieved 2024-11-04) (CAS RN: 64999-57-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H31NO6/c1-18-6-5-11-20-7-8-21(25,27-10-20)19(2)14(20)13(28-17(19)24)15-22(11,29-15)16(18)26-9-12(18)23(3)4/h11-16,25H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+,18-,19-,20-,21-,22+/m0/s1

InChIKey

InChIKey=VSTATNJCZCHFTM-QVPHZILJSA-N

SMILES

C[C@]12[C@]([C@@]34[C@]([C@]56[C@]7([C@@]([C@@]3(O4)[H])(OC(=O)[C@@]7(C)[C@](O)(CC5)OC6)[H])[H])(CC1)[H])(OC[C@@H]2N(C)C)[H]

Canonical SMILES

O=C1OC2C3OC34C5OCC(N(C)C)C5(C)CCC4C67COC(O)(CC6)C1(C)C27

Other Names for this Substance

  • 9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one, 3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-, (3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)-
  • 15-Oxaandrostane-4-carboxylic acid, 17-(dimethylamino)-3,19:7,8-diepoxy-3,6-dihydroxy-4-methyl-, γ-lactone, (3β,4β,5α,6β,7β,9β,13α,17β)-
  • 9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one, 3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-, [3R-(3α,3aβ,5aα,5bα,8α,8aβ,8bβ,10aβ,10bβ,11aS*,11bβ)]-
  • Icacine

CAS INSIGHTSTM
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