(2S)-2-(Acetyloxy)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,4S,4aS,5R,8S,8aR,8bS,10S)-octahydro-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-1-propanone

CAS Registry Number®

15007-67-7

CAS Name

(2S)-2-(Acetyloxy)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,4S,4aS,5R,8S,8aR,8bS,10S)-octahydro-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-1-propanone

Molecular Formula

C32H49NO5

Molecular Mass

527.74

Cite this Page

(2S)-2-(Acetyloxy)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,4S,4aS,5R,8S,8aR,8bS,10S)-octahydro-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-1-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15007-67-7 (retrieved 2024-11-13) (CAS RN: 15007-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H49NO5/c1-19(2)22-10-13-29(5)21-9-15-31-12-7-8-24(31)32(29,26(22)33(31)17-21)16-23(37-20(3)34)27(35)28(4)18-36-30(6)14-11-25(28)38-30/h19,21-26H,7-18H2,1-6H3/t21-,22-,23+,24-,25+,26+,28-,29+,30-,31-,32+/m1/s1

InChIKey

InChIKey=LFLWRPZTBUUBEQ-ZRJLWMKBSA-N

SMILES

C([C@@H](C(=O)[C@@]1(C)[C@]2(O[C@@](C)(OC1)CC2)[H])OC(C)=O)[C@]34[C@]5([C@@]6([N@@]7[C@]3([C@@H](C(C)C)CC[C@@]4(C)[C@@](C7)(CC6)[H])[H])CCC5)[H]

Canonical SMILES

O=C(OC(C(=O)C1(C)COC2(OC1CC2)C)CC34C5N6CC(CCC67CCCC73)C4(C)CCC5C(C)C)C

Other Names for this Substance

  • 1-Propanone, 2-(acetyloxy)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,4S,4aS,5R,8S,8aR,8bS,10S)-octahydro-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-, (2S)-
  • Daphniphylline
  • Daphnan-23-one, 22-(acetyloxy)-23-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-, [22S,23(1R,4R,5S)]-
  • (2S)-2-(Acetyloxy)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,4S,4aS,5R,8S,8aR,8bS,10S)-octahydro-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-1-propanone
  • Daphniphyllamine

View All

Deleted or Replaced CAS Registry Numbers

1391-30-6, 30797-72-9, 33012-31-6

CAS INSIGHTSTM
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