(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one

CAS Registry Number®

99759-48-5
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CAS Name

(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one

Molecular Formula

C29H37NO6

Molecular Mass

495.61

Cite this Page

(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99759-48-5 (retrieved 2024-09-05) (CAS RN: 99759-48-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-214 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17?,18-,19+,20-,21+,22-,23-,24?,27+,28-,29+/m1/s1

InChIKey

InChIKey=XVVZJDDPRFFKTQ-IEPCDSABSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@@]4([C@H](OC(=O)C5=CC=CC=C5)[C@@](C2(N(CC)C[C@]4(C)CC1)[H])([C@]6(O)[C@@]7([C@]3(CC(OC7=O)(CC6)[H])[H])[H])[H])[H]

Canonical SMILES

O=C(OC1C2C3N(CC)CC4(C)CCC(OC)C3(C5CC6OC(=O)C5C2(O)CC6)C14)C=7C=CC=CC7

Other Names for this Substance

  • 8H-13,3,6a-Ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one, 14-(benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-, (3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-
  • Heteratisan-14-one, 6-(benzoyloxy)-20-ethyl-8-hydroxy-1-methoxy-4-methyl-, (1α,6β)-
  • (3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one
  • Heteratisine 6-benzoate
  • 6-O-Benzoylheteratisine

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