(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-15-(Acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one

CAS Registry Number®

108050-27-7
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CAS Name

(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-15-(Acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one

Molecular Formula

C30H41NO6

Molecular Mass

511.65

Cite this Page

(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-15-(Acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108050-27-7 (retrieved 2024-05-15) (CAS RN: 108050-27-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117-118 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9-,15-14-/t18-,19-,22-,23-,24+,25-,26-,28-,29-,30+/m0/s1

InChIKey

InChIKey=AVASIWUXPVFFGK-ZGCSGGDCSA-N

SMILES

O(C(C)=O)[C@H]/1[C@]23[C@]([C@H](CC4=CC=CC=C4)NC2=O)([C@H](C)[C@](C)(O)[C@@H](O)[C@@]3(/C=C\C[C@H](C)C[C@@](C)(O)/C=C1)[H])[H]

Canonical SMILES

O=C(OC1C=CC(O)(C)CC(C)CC=CC2C(O)C(O)(C)C(C)C3C(NC(=O)C123)CC=4C=CC=CC4)C

Other Names for this Substance

  • 1H-Cycloundec[d]isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
  • [11]Cytochalasa-13,19-dien-1-one, 21-(acetyloxy)-6,7,18-trihydroxy-16,18-dimethyl-10-phenyl-, (6S,7S,13E,16S,18R,19E,21R)-
  • (3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-15-(Acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one
  • Cytochalasin Ppho
  • 1H-Cycloundec[d]isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, [3S-(3R*,3aS*,4R*,5R*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*)]-

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