(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
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-oneMolecular Formula
C29H37NO6Molecular Mass
495.61Cite 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 ) (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-/m0/s1
InChIKey
InChIKey=XVVZJDDPRFFKTQ-VQZXXSFUSA-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(C3(C[C@@](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
